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

C12H16N2O — CID 22312414

IUPAC3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC1CC(N)C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H16N2O/c1-8-7-10(13)12(15)14(2)11-6-4-3-5-9(8)11/h3-6,8,10H,7,13H2,1-2H3
InChIKeyHYJONSWLDOFVMR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.48
Rot. Bonds

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

3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 22312414) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID22312414
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCC1CC(N)C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H16N2O/c1-8-7-10(13)12(15)14(2)11-6-4-3-5-9(8)11/h3-6,8,10H,7,13H2,1-2H3
InChIKeyHYJONSWLDOFVMR-UHFFFAOYSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one (CID 22312414) is 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one is CC1CC(N)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is HYJONSWLDOFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-7-10(13)12(15)14(2)11-6-4-3-5-9(8)11/h3-6,8,10H,7,13H2,1-2H3.
What are the key properties of 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one?
3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 22312414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).