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

C11H14N2O — CID 143186983

IUPAC4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one
SMILESCC1(N)C=CN=C2C(=O)CCCC2=C1
InChIInChI=1S/C11H14N2O/c1-11(12)5-6-13-10-8(7-11)3-2-4-9(10)14/h5-7H,2-4,12H2,1H3
InChIKeyPFWKYGOHNBALBW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.35
Rot. Bonds

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

4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one (PubChem CID 143186983) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one.

Molecular Properties

Compound Name4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one
PubChem CID143186983
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one
SMILESCC1(N)C=CN=C2C(=O)CCCC2=C1
InChIInChI=1S/C11H14N2O/c1-11(12)5-6-13-10-8(7-11)3-2-4-9(10)14/h5-7H,2-4,12H2,1H3
InChIKeyPFWKYGOHNBALBW-UHFFFAOYSA-N
XLogP1.35
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one?
The IUPAC name of 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one (CID 143186983) is 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one.
What is the SMILES notation for 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one?
The canonical SMILES for 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one is CC1(N)C=CN=C2C(=O)CCCC2=C1.
What is the InChIKey of 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one?
The InChIKey is PFWKYGOHNBALBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(12)5-6-13-10-8(7-11)3-2-4-9(10)14/h5-7H,2-4,12H2,1H3.
What are the key properties of 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one?
4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one has a molecular weight of 190.25 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-7,8-dihydro-6H-1-benzazepin-9-one is sourced from PubChem (CID 143186983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).