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

C12H16N2O — CID 22312377

IUPAC3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
SMILESCC1(C)CC(N)C(=O)Nc2ccccc21
InChIInChI=1S/C12H16N2O/c1-12(2)7-9(13)11(15)14-10-6-4-3-5-8(10)12/h3-6,9H,7,13H2,1-2H3,(H,14,15)
InChIKeyHEVDLBJKJWNPQY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.63
Rot. Bonds

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

3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one (PubChem CID 22312377) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
PubChem CID22312377
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
SMILESCC1(C)CC(N)C(=O)Nc2ccccc21
InChIInChI=1S/C12H16N2O/c1-12(2)7-9(13)11(15)14-10-6-4-3-5-8(10)12/h3-6,9H,7,13H2,1-2H3,(H,14,15)
InChIKeyHEVDLBJKJWNPQY-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54602990
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CID 17234022
(3S)-3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 10910414
3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide
CID 13375145
(3S)-5-acetyl-3-amino-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 143013487
(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
4-ethyl-4-methyl-1,3-dihydroquinolin-2-one
CID 126504944
3-(3-amino-3-methylazetidin-1-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103314517
CID 146949857
CID 146949857
3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622089
(2'S,3S)-1'-tert-butyl-2'-methylspiro[1H-indole-3,4'-pyrrolidine]-2-one
CID 154287674
3-butyl-3,4-dihydro-1H-quinolin-2-one
CID 12715425

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one?
The IUPAC name of 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one (CID 22312377) is 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one.
What is the SMILES notation for 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one?
The canonical SMILES for 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one is CC1(C)CC(N)C(=O)Nc2ccccc21.
What is the InChIKey of 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one?
The InChIKey is HEVDLBJKJWNPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2)7-9(13)11(15)14-10-6-4-3-5-8(10)12/h3-6,9H,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one?
3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one is sourced from PubChem (CID 22312377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).