Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018246

Phytochemical name: 1,2,4-Trimethyl-3-nitrobicyclo[3.3.1]nonan-9-one

Synonymous chemical names:
1,2,4-Trimethyl-3-nitrobicyclo[3.3.1]nonan-9-one

External chemical identifiers:
CID:CID_565444

---

Chemical structure information

SMILES:
[O-][N+](=O)C1C(C)C2CCCC(C1C)(C2=O)C

InChI:
InChI=1S/C12H19NO3/c1-7-9-5-4-6-12(3,11(9)14)8(2)10(7)13(15)16/h7-10H,4-6H2,1-3H3

InChIKey:
YAQCJOZXWLXCHO-UHFFFAOYSA-N

DeepSMILES:
[O-][N+]=O)CCC)CCCCCC8C))C6=O))C

Functional groups:
C[N+](=O)[O-], CC(=O)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2CCCC1CCC2

Scaffold Graph/Node level:
OC1C2CCCC1CCC2

Scaffold Graph level:
CC1C2CCCC1CCC2

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic 1,3-dipolar compounds

ClassyFire Class: Allyl-type 1,3-dipolar organic compounds

ClassyFire Subclass: Organic nitro compounds

NP-Likeness score: 1.06

---

Chemical structure download