2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one

C11H15NO — CID 134969028

IUPAC2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one
SMILESCN1CC=CC2=C(CCCC2)C1=O
InChIInChI=1S/C11H15NO/c1-12-8-4-6-9-5-2-3-7-10(9)11(12)13/h4,6H,2-3,5,7-8H2,1H3
InChIKeyZOSKSVCMWOBODQ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.89
Rot. Bonds

About 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one

2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one (PubChem CID 134969028) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one
PubChem CID134969028
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one
SMILESCN1CC=CC2=C(CCCC2)C1=O
InChIInChI=1S/C11H15NO/c1-12-8-4-6-9-5-2-3-7-10(9)11(12)13/h4,6H,2-3,5,7-8H2,1H3
InChIKeyZOSKSVCMWOBODQ-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one?
The IUPAC name of 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one (CID 134969028) is 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one?
The canonical SMILES for 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one is CN1CC=CC2=C(CCCC2)C1=O.
What is the InChIKey of 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one?
The InChIKey is ZOSKSVCMWOBODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-8-4-6-9-5-2-3-7-10(9)11(12)13/h4,6H,2-3,5,7-8H2,1H3.
What are the key properties of 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one?
2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 134969028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).