IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
5-Hydroxypyrrolidin-2-one
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005768
Phytochemical name:
5-Hydroxypyrrolidin-2-one
Synonymous chemical names:
5-hydroxypyrrolidin-2-one
External chemical identifiers:
CID:194148
,
SureChEMBL:SCHEMBL1270824
,
MolPort-023-298-861
Chemical structure information
SMILES:
OC1CCC(=O)N1
InChI:
InChI=1S/C4H7NO2/c6-3-1-2-4(7)5-3/h3,6H,1-2H2,(H,5,7)
InChIKey:
WBGWUCXEMSSZJL-UHFFFAOYSA-N
DeepSMILES:
OCCCC=O)N5
Functional groups:
O=C1CCC(O)N1
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCCN1
Scaffold Graph/Node level:
OC1CCCN1
Scaffold Graph level:
CC1CCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Pyrrolidines
ClassyFire Subclass:
Pyrrolidones
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Ornithine alkaloids
NP Classifier Class:
Pyrrolidine alkaloids
NP-Likeness score:
1.143
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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