(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

C9H15NO — CID 45098359

IUPAC(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
SMILESC[C@H]1CC[C@@H]2CC(=O)NC[C@@H]21
InChIInChI=1S/C9H15NO/c1-6-2-3-7-4-9(11)10-5-8(6)7/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7+,8+/m0/s1
InChIKeyAESJVICLVCBBQV-XLPZGREQSA-N
MW153.22 g/mol
LogP1.17
Rot. Bonds

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

(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one (PubChem CID 45098359) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one.

Molecular Properties

Compound Name(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
PubChem CID45098359
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
SMILESC[C@H]1CC[C@@H]2CC(=O)NC[C@@H]21
InChIInChI=1S/C9H15NO/c1-6-2-3-7-4-9(11)10-5-8(6)7/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7+,8+/m0/s1
InChIKeyAESJVICLVCBBQV-XLPZGREQSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one?
The IUPAC name of (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one (CID 45098359) is (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one.
What is the SMILES notation for (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one?
The canonical SMILES for (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one is C[C@H]1CC[C@@H]2CC(=O)NC[C@@H]21.
What is the InChIKey of (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one?
The InChIKey is AESJVICLVCBBQV-XLPZGREQSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-2-3-7-4-9(11)10-5-8(6)7/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7+,8+/m0/s1.
What are the key properties of (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one?
(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one is sourced from PubChem (CID 45098359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).