5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C12H16N2O — CID 82396585

IUPAC5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1cc(C)c2c(c1)C(N)CCC(=O)N2
InChIInChI=1S/C12H16N2O/c1-7-5-8(2)12-9(6-7)10(13)3-4-11(15)14-12/h5-6,10H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyYBEFLABDGOJSLS-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.04
Rot. Bonds

About 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 82396585) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID82396585
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1cc(C)c2c(c1)C(N)CCC(=O)N2
InChIInChI=1S/C12H16N2O/c1-7-5-8(2)12-9(6-7)10(13)3-4-11(15)14-12/h5-6,10H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyYBEFLABDGOJSLS-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 82396585) is 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is Cc1cc(C)c2c(c1)C(N)CCC(=O)N2.
What is the InChIKey of 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is YBEFLABDGOJSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-5-8(2)12-9(6-7)10(13)3-4-11(15)14-12/h5-6,10H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7,9-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 82396585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).