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

C15H21NO — CID 57077679

IUPAC(10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
SMILESCC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C
InChIInChI=1S/C15H21NO/c1-10-6-7-12-11-4-3-5-15(17)13(11)8-9-14(12)16(10)2/h3-4,9-13H,5-8H2,1-2H3/t10?,11?,12-,13?/m0/s1
InChIKeyKPEHPILSCBNDDA-ARAJFMJPSA-N
MW231.34 g/mol
LogP2.77
Rot. Bonds

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

(10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one (PubChem CID 57077679) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one.

Molecular Properties

Compound Name(10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
PubChem CID57077679
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
SMILESCC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C
InChIInChI=1S/C15H21NO/c1-10-6-7-12-11-4-3-5-15(17)13(11)8-9-14(12)16(10)2/h3-4,9-13H,5-8H2,1-2H3/t10?,11?,12-,13?/m0/s1
InChIKeyKPEHPILSCBNDDA-ARAJFMJPSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one with MolForge

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Related Compounds

6-methyl-3a,3b,4,8,9,9a,9b,10,11,11a-decahydro-3H-indeno[5,4-f]quinolin-7-one
CID 141269165
6-methylidene-2,4a,5,7,8,8a-hexahydronaphthalen-1-one
CID 123297346
bicyclo[4.2.0]oct-4-ene-2,7-dione
CID 130037819
(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 142417985
5-amino-6-methylcyclohex-3-en-1-one
CID 175829218
1,2-dimethyl-2,3-dihydropyridin-6-one
CID 12662945
2,3,4,4a,6,8a-hexahydrochromen-5-one
CID 90111544
6-ethyl-5-methylcyclohex-3-en-1-one
CID 163600534
7-oxabicyclo[4.1.0]hept-4-en-2-one
CID 88598101
2-methyl-2,5-dihydro-1H-pyridin-6-one
CID 55303421
3,8-dimethyl-2,3,3a,5,6,8a-hexahydro-1H-azulen-4-one
CID 72671207
tricyclo[5.3.0.02,6]dec-8-en-3-one
CID 130038201

Frequently Asked Questions

What is the IUPAC name of (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The IUPAC name of (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one (CID 57077679) is (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one.
What is the SMILES notation for (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The canonical SMILES for (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one is CC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C.
What is the InChIKey of (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The InChIKey is KPEHPILSCBNDDA-ARAJFMJPSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-6-7-12-11-4-3-5-15(17)13(11)8-9-14(12)16(10)2/h3-4,9-13H,5-8H2,1-2H3/t10?,11?,12-,13?/m0/s1.
What are the key properties of (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
(10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one has a molecular weight of 231.34 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-3,4-dimethyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one is sourced from PubChem (CID 57077679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).