1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

C18H23NO2 — CID 106827391

IUPAC1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCC1(C(=O)N2CCCC(=O)c3ccccc32)CCCCC1
InChIInChI=1S/C18H23NO2/c1-18(11-5-2-6-12-18)17(21)19-13-7-10-16(20)14-8-3-4-9-15(14)19/h3-4,8-9H,2,5-7,10-13H2,1H3
InChIKeyRCOGJECVLVMXDK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.97
Rot. Bonds1

About 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 106827391) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID106827391
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCC1(C(=O)N2CCCC(=O)c3ccccc32)CCCCC1
InChIInChI=1S/C18H23NO2/c1-18(11-5-2-6-12-18)17(21)19-13-7-10-16(20)14-8-3-4-9-15(14)19/h3-4,8-9H,2,5-7,10-13H2,1H3
InChIKeyRCOGJECVLVMXDK-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
CID 106828103
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide
CID 114336650
1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
CID 106826429
1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336606
1-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336661
1-(3-methylsulfanylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336610
1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336602
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
1-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336551
1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
CID 72709163

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (CID 106827391) is 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is CC1(C(=O)N2CCCC(=O)c3ccccc32)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is RCOGJECVLVMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(11-5-2-6-12-18)17(21)19-13-7-10-16(20)14-8-3-4-9-15(14)19/h3-4,8-9H,2,5-7,10-13H2,1H3.
What are the key properties of 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 285.39 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 106827391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).