(4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one

C10H17NO — CID 162851424

IUPAC(4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one
SMILESC[C@H]1CNC[C@@H]2[C@H]1CC(=O)[C@@H]2C
InChIInChI=1S/C10H17NO/c1-6-4-11-5-9-7(2)10(12)3-8(6)9/h6-9,11H,3-5H2,1-2H3/t6-,7+,8-,9-/m0/s1
InChIKeyVPXKYNHYSKALJR-KZVJFYERSA-N
MW167.25 g/mol
LogP1.07
Rot. Bonds

About (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one

(4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one (PubChem CID 162851424) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one.

Molecular Properties

Compound Name(4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one
PubChem CID162851424
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one
SMILESC[C@H]1CNC[C@@H]2[C@H]1CC(=O)[C@@H]2C
InChIInChI=1S/C10H17NO/c1-6-4-11-5-9-7(2)10(12)3-8(6)9/h6-9,11H,3-5H2,1-2H3/t6-,7+,8-,9-/m0/s1
InChIKeyVPXKYNHYSKALJR-KZVJFYERSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one?
The IUPAC name of (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one (CID 162851424) is (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one.
What is the SMILES notation for (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one?
The canonical SMILES for (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one is C[C@H]1CNC[C@@H]2[C@H]1CC(=O)[C@@H]2C.
What is the InChIKey of (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one?
The InChIKey is VPXKYNHYSKALJR-KZVJFYERSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-4-11-5-9-7(2)10(12)3-8(6)9/h6-9,11H,3-5H2,1-2H3/t6-,7+,8-,9-/m0/s1.
What are the key properties of (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one?
(4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one has a molecular weight of 167.25 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,7R,7aR)-4,7-dimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclopenta[c]pyridin-6-one is sourced from PubChem (CID 162851424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).