3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one

C13H15NO — CID 70192241

IUPAC3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one
SMILESO=C1CNC2CCC3C=CC=CC3=C2C1
InChIInChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,9,13-14H,5-8H2
InChIKeyZEMMSQGOLPQWKX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.75
Rot. Bonds

About 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one

3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one (PubChem CID 70192241) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one.

Molecular Properties

Compound Name3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one
PubChem CID70192241
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one
SMILESO=C1CNC2CCC3C=CC=CC3=C2C1
InChIInChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,9,13-14H,5-8H2
InChIKeyZEMMSQGOLPQWKX-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one with MolForge

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Related Compounds

1-(1,2,3,4,4a,5-Hexahydroisoquinolin-3-yl)-2,2,2-trifluoroethanone
CID 67104330
2,2-Dimethyl-8-azachromanone
CID 145994940
2,3,4,4a,5,6a-hexahydro-1H-benzo[h]isoquinolin-6-one;hydrochloride
CID 18361986
2,3,4,4a,5,6a-hexahydro-1H-benzo[h]isoquinolin-6-one
CID 18361987
(4aS,10aS)-2,3,4,4a,5,6,10,10a-octahydro-1H-benzo[g]quinolin-7-one
CID 18601387
2,4a,8a,9a,10,10a-hexahydro-1H-acridin-9-one
CID 19707352
3,4,6,6a,10a,10b-hexahydro-1H-benzo[f]quinolin-2-one
CID 19707371
2,3,4,4a,5,6,10,10a-octahydro-1H-benzo[g]quinolin-7-one
CID 20250045
2,4,4a,8a-tetrahydro-1H-quinolin-3-one
CID 53739267
2,3,4,4a,7,8a-hexahydro-1H-quinolin-8-one
CID 56980167
2,3,4,4a,5,6,6a,10-octahydro-1H-benzo[f]quinolin-7-one
CID 57245659
3a,4,5,5a,6,9b-hexahydro-3H-cyclopenta[c]quinolin-4-ylmethanone;yttrium
CID 58772907

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one?
The IUPAC name of 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one (CID 70192241) is 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one.
What is the SMILES notation for 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one?
The canonical SMILES for 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one is O=C1CNC2CCC3C=CC=CC3=C2C1.
What is the InChIKey of 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one?
The InChIKey is ZEMMSQGOLPQWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-10-7-12-11-4-2-1-3-9(11)5-6-13(12)14-8-10/h1-4,9,13-14H,5-8H2.
What are the key properties of 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one?
3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one has a molecular weight of 201.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,6a-hexahydro-1H-benzo[f]quinolin-2-one is sourced from PubChem (CID 70192241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).