2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one

C12H15NO — CID 59116752

IUPAC2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCC1Cc2ccccc2CC(=O)N1C
InChIInChI=1S/C12H15NO/c1-9-7-10-5-3-4-6-11(10)8-12(14)13(9)2/h3-6,9H,7-8H2,1-2H3
InChIKeyHKVOAJXIBNMLEA-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.63
Rot. Bonds

About 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one

2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one (PubChem CID 59116752) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
PubChem CID59116752
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
SMILESCC1Cc2ccccc2CC(=O)N1C
InChIInChI=1S/C12H15NO/c1-9-7-10-5-3-4-6-11(10)8-12(14)13(9)2/h3-6,9H,7-8H2,1-2H3
InChIKeyHKVOAJXIBNMLEA-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one (CID 59116752) is 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one is CC1Cc2ccccc2CC(=O)N1C.
What is the InChIKey of 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one?
The InChIKey is HKVOAJXIBNMLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-7-10-5-3-4-6-11(10)8-12(14)13(9)2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one?
2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one has a molecular weight of 189.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 59116752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).