9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one

C10H10ClNO — CID 53359998

IUPAC9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cccc(Cl)c2N1
InChIInChI=1S/C10H10ClNO/c11-8-5-1-3-7-4-2-6-9(13)12-10(7)8/h1,3,5H,2,4,6H2,(H,12,13)
InChIKeyLEEMHEZPFCBIFY-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.61
Rot. Bonds

About 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one

9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 53359998) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID53359998
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cccc(Cl)c2N1
InChIInChI=1S/C10H10ClNO/c11-8-5-1-3-7-4-2-6-9(13)12-10(7)8/h1,3,5H,2,4,6H2,(H,12,13)
InChIKeyLEEMHEZPFCBIFY-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloroquinolin-2(1H)-one
CID 4204917
1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one
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N-(3-chlorophenyl)-2-phenylacetamide
CID 307344
N-(2-chloro-4,6-dimethylphenyl)pentanamide
CID 1568281
N-(2-chloro-4,6-dimethylphenyl)-3,3-dimethylbutanamide
CID 2547402
N-(2-chloro-6-methylphenyl)-2-cyanoacetamide
CID 304857
N-(2-chloro-4-methylphenyl)acetamide
CID 98691
3-chloro-N-(2-chlorophenyl)benzamide
CID 722369

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 53359998) is 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cccc(Cl)c2N1.
What is the InChIKey of 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is LEEMHEZPFCBIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-8-5-1-3-7-4-2-6-9(13)12-10(7)8/h1,3,5H,2,4,6H2,(H,12,13).
What are the key properties of 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one?
9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 195.65 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 53359998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).