IMPPAT Phytochemical information: 
1-Cyclopropene-1-carboxylic acid

1-Cyclopropene-1-carboxylic acid
Summary

IMPPAT Phytochemical identifier: IMPHY014358

Phytochemical name: 1-Cyclopropene-1-carboxylic acid

Synonymous chemical names:
cyclopropenoic acid

External chemical identifiers:
CID:20484850, SureChEMBL:SCHEMBL325503
Chemical structure information

SMILES:
OC(=O)C1=CC1

InChI:
InChI=1S/C4H4O2/c5-4(6)3-1-2-3/h1H,2H2,(H,5,6)

InChIKey:
ZYYZWCHPJMNJGY-UHFFFAOYSA-N

DeepSMILES:
OC=O)C=CC3

Functional groups:
O=C(O)C1=CC1
Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC1

Scaffold Graph/Node level:
C1CC1

Scaffold Graph level:
C1CC1
Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass:
Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acids

NP Classifier Biosynthetic pathway: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1), Small peptides

NP Classifier Class: Aminoacids, Simple phenolic acids

NP-Likeness score: 1.759


Chemical structure download