(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one

C13H15NO — CID 59083233

IUPAC(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one
SMILESCc1ccc2c(c1)C(=O)[C@@H]1CCNC[C@H]21
InChIInChI=1S/C13H15NO/c1-8-2-3-9-11(6-8)13(15)10-4-5-14-7-12(9)10/h2-3,6,10,12,14H,4-5,7H2,1H3/t10-,12-/m1/s1
InChIKeyPPDAJGIKKRDMPO-ZYHUDNBSSA-N
MW201.27 g/mol
LogP1.88
Rot. Bonds

About (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one

(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one (PubChem CID 59083233) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one.

Molecular Properties

Compound Name(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one
PubChem CID59083233
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one
SMILESCc1ccc2c(c1)C(=O)[C@@H]1CCNC[C@H]21
InChIInChI=1S/C13H15NO/c1-8-2-3-9-11(6-8)13(15)10-4-5-14-7-12(9)10/h2-3,6,10,12,14H,4-5,7H2,1H3/t10-,12-/m1/s1
InChIKeyPPDAJGIKKRDMPO-ZYHUDNBSSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one with MolForge

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Related Compounds

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CID 12850461
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CID 66273596
3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
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3-(2,4-dimethylphenyl)-N,N-dimethylpiperidin-4-amine
CID 117000283
4-(3-methylphenyl)-3-phenylpiperidine
CID 79312119
4-(2-methylphenyl)-3-(3-methylphenyl)piperidine
CID 79441677
4-[(4aS,5R,9bS)-7-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-c]pyridin-5-yl]benzaldehyde;hydrochloride
CID 10449145
3-(3-bromophenyl)-4-(2,5-dimethylphenyl)piperidine
CID 79430904
4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
CID 79441754
4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
CID 114055081
1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one
CID 155201545
(10bR)-9-methyl-1,2,3,4,5,5a,6,10b-octahydroazepino[4,3-b]indole
CID 71128959

Frequently Asked Questions

What is the IUPAC name of (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one?
The IUPAC name of (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one (CID 59083233) is (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one.
What is the SMILES notation for (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one?
The canonical SMILES for (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one is Cc1ccc2c(c1)C(=O)[C@@H]1CCNC[C@H]21.
What is the InChIKey of (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one?
The InChIKey is PPDAJGIKKRDMPO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H15NO/c1-8-2-3-9-11(6-8)13(15)10-4-5-14-7-12(9)10/h2-3,6,10,12,14H,4-5,7H2,1H3/t10-,12-/m1/s1.
What are the key properties of (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one?
(4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one has a molecular weight of 201.27 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9bS)-7-methyl-1,2,3,4,4a,9b-hexahydroindeno[1,2-c]pyridin-5-one is sourced from PubChem (CID 59083233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).