4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one

C10H12N2O — CID 118856234

IUPAC4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESNC1CNC(=O)c2ccccc2C1
InChIInChI=1S/C10H12N2O/c11-8-5-7-3-1-2-4-9(7)10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)
InChIKeyJDTRCZPCMMRFJM-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.30
Rot. Bonds

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

4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 118856234) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID118856234
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESNC1CNC(=O)c2ccccc2C1
InChIInChI=1S/C10H12N2O/c11-8-5-7-3-1-2-4-9(7)10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)
InChIKeyJDTRCZPCMMRFJM-UHFFFAOYSA-N
XLogP0.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 102550817
2,3-dihydroisoindol-1-one;methane
CID 161271775
(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 15416039
(4R)-4-aminopyrrolidin-2-one;dihydrochloride
CID 121000296
2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 11240655
2,3-dihydroisoindol-1-one;isoindole-1,3-dione
CID 68591479
11-azatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-one
CID 91060740
(3S)-3-ethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 92977970
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)methyl acetate
CID 102256505
2,3-dihydro-1H-inden-2-amine;ethane
CID 142154792
4-amino-6-phenylazepan-2-one
CID 141148880

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 118856234) is 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one is NC1CNC(=O)c2ccccc2C1.
What is the InChIKey of 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is JDTRCZPCMMRFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-5-7-3-1-2-4-9(7)10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13).
What are the key properties of 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one?
4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 176.22 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 118856234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).