8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one

C18H23NO2 — CID 106826671

IUPAC8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESCC1(C(=O)c2ccc3c(c2)C(=O)NCCC3)CCCCC1
InChIInChI=1S/C18H23NO2/c1-18(9-3-2-4-10-18)16(20)14-8-7-13-6-5-11-19-17(21)15(13)12-14/h7-8,12H,2-6,9-11H2,1H3,(H,19,21)
InChIKeyZASFCCBHGSIGKV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.52
Rot. Bonds2

About 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one

8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 106826671) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID106826671
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESCC1(C(=O)c2ccc3c(c2)C(=O)NCCC3)CCCCC1
InChIInChI=1S/C18H23NO2/c1-18(9-3-2-4-10-18)16(20)14-8-7-13-6-5-11-19-17(21)15(13)12-14/h7-8,12H,2-6,9-11H2,1H3,(H,19,21)
InChIKeyZASFCCBHGSIGKV-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2,3-dimethylbutanoyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 113422794
8-(2-bromobutanoyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 113422785
8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525377
8-(2-methylpentanoyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525386
5-oxo-5-(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)pentanoic acid
CID 104525529
8-(2-chlorobenzoyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525367
8-[(1-ethylcyclopentyl)-hydroxymethyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526177
8-(2,5-dibromothiophene-3-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 107960163
7-[bromo-(1-methylcyclohexyl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 106828577
8-(1-chloroethyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104526384
8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 82159405
7-(piperidine-3-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 64813460

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 106826671) is 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one is CC1(C(=O)c2ccc3c(c2)C(=O)NCCC3)CCCCC1.
What is the InChIKey of 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is ZASFCCBHGSIGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(9-3-2-4-10-18)16(20)14-8-7-13-6-5-11-19-17(21)15(13)12-14/h7-8,12H,2-6,9-11H2,1H3,(H,19,21).
What are the key properties of 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one?
8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylcyclohexanecarbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 106826671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).