(10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one

C19H27NO — CID 57119594

IUPAC(10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
SMILESCC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C1CCCC1
InChIInChI=1S/C19H27NO/c1-13-9-10-16-15-7-4-8-19(21)17(15)11-12-18(16)20(13)14-5-2-3-6-14/h4,7,12-17H,2-3,5-6,8-11H2,1H3/t13?,15?,16-,17?/m0/s1
InChIKeySDWOAXADCIKCEW-LYOOIAODSA-N
MW285.43 g/mol
LogP4.08
Rot. Bonds1

About (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one

(10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one (PubChem CID 57119594) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one.

Molecular Properties

Compound Name(10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
PubChem CID57119594
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
SMILESCC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C1CCCC1
InChIInChI=1S/C19H27NO/c1-13-9-10-16-15-7-4-8-19(21)17(15)11-12-18(16)20(13)14-5-2-3-6-14/h4,7,12-17H,2-3,5-6,8-11H2,1H3/t13?,15?,16-,17?/m0/s1
InChIKeySDWOAXADCIKCEW-LYOOIAODSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The IUPAC name of (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one (CID 57119594) is (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one.
What is the SMILES notation for (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The canonical SMILES for (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one is CC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C1CCCC1.
What is the InChIKey of (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The InChIKey is SDWOAXADCIKCEW-LYOOIAODSA-N. The full InChI is InChI=1S/C19H27NO/c1-13-9-10-16-15-7-4-8-19(21)17(15)11-12-18(16)20(13)14-5-2-3-6-14/h4,7,12-17H,2-3,5-6,8-11H2,1H3/t13?,15?,16-,17?/m0/s1.
What are the key properties of (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
(10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one has a molecular weight of 285.43 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-4-cyclopentyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one is sourced from PubChem (CID 57119594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).