7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one

C12H13NO — CID 19804193

IUPAC7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one
SMILESCc1cc2c(cc1C)NC(=O)CC=C2
InChIInChI=1S/C12H13NO/c1-8-6-10-4-3-5-12(14)13-11(10)7-9(8)2/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyHCLQHMWNRYJAOD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.66
Rot. Bonds

About 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one

7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one (PubChem CID 19804193) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one
PubChem CID19804193
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one
SMILESCc1cc2c(cc1C)NC(=O)CC=C2
InChIInChI=1S/C12H13NO/c1-8-6-10-4-3-5-12(14)13-11(10)7-9(8)2/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyHCLQHMWNRYJAOD-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one?
The IUPAC name of 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one (CID 19804193) is 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one.
What is the SMILES notation for 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one?
The canonical SMILES for 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one is Cc1cc2c(cc1C)NC(=O)CC=C2.
What is the InChIKey of 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one?
The InChIKey is HCLQHMWNRYJAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-6-10-4-3-5-12(14)13-11(10)7-9(8)2/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one?
7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one has a molecular weight of 187.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,3-dihydro-1-benzazepin-2-one is sourced from PubChem (CID 19804193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).