4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one

C12H15NO — CID 143191655

IUPAC4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one
SMILESCC1(C)C=CN=C2C(=O)CCCC2=C1
InChIInChI=1S/C12H15NO/c1-12(2)6-7-13-11-9(8-12)4-3-5-10(11)14/h6-8H,3-5H2,1-2H3
InChIKeyRJINTMMKMDTKHY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.66
Rot. Bonds

About 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one

4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one (PubChem CID 143191655) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one.

Molecular Properties

Compound Name4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one
PubChem CID143191655
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one
SMILESCC1(C)C=CN=C2C(=O)CCCC2=C1
InChIInChI=1S/C12H15NO/c1-12(2)6-7-13-11-9(8-12)4-3-5-10(11)14/h6-8H,3-5H2,1-2H3
InChIKeyRJINTMMKMDTKHY-UHFFFAOYSA-N
XLogP2.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Ethyl-2,3-dihydropyridin-6-yl)ethanone
CID 91357305
4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one
CID 143186983
4-iodo-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one
CID 143186993
1-(3-Ethyl-5,5-dimethylazepin-2-yl)ethanone
CID 143191575
1-(5,5-Dimethyl-3-propylazepin-2-yl)ethanone
CID 143191648
1-(3,5,5-Trimethylazepin-2-yl)ethanone
CID 143290215
5,5-Dimethyl-3-propylazepine-2-carbonyl iodide
CID 163769429
7,9-Dihydro-1-benzazepin-8-one
CID 172838380
(3Z)-3-ethylidene-4-methyliminocyclohexan-1-one
CID 144209892

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one?
The IUPAC name of 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one (CID 143191655) is 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one.
What is the SMILES notation for 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one?
The canonical SMILES for 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one is CC1(C)C=CN=C2C(=O)CCCC2=C1.
What is the InChIKey of 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one?
The InChIKey is RJINTMMKMDTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-12(2)6-7-13-11-9(8-12)4-3-5-10(11)14/h6-8H,3-5H2,1-2H3.
What are the key properties of 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one?
4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one has a molecular weight of 189.26 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-7,8-dihydro-6H-1-benzazepin-9-one is sourced from PubChem (CID 143191655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).