8,9-dichloro-3-benzazepin-2-one

C10H5Cl2NO — CID 154199506

IUPAC8,9-dichloro-3-benzazepin-2-one
SMILESO=c1cc2c(Cl)c(Cl)ccc2ccn1
InChIInChI=1S/C10H5Cl2NO/c11-8-2-1-6-3-4-13-9(14)5-7(6)10(8)12/h1-5H
InChIKeyIFANAEYRNKSAOZ-UHFFFAOYSA-N
MW226.06 g/mol
LogP2.90
Rot. Bonds

About 8,9-dichloro-3-benzazepin-2-one

8,9-dichloro-3-benzazepin-2-one (PubChem CID 154199506) has the molecular formula C10H5Cl2NO and a molecular weight of 226.06 g/mol. Its IUPAC name is 8,9-dichloro-3-benzazepin-2-one.

Molecular Properties

Compound Name8,9-dichloro-3-benzazepin-2-one
PubChem CID154199506
Molecular FormulaC10H5Cl2NO
Molecular Weight226.06 g/mol
Exact Mass224.97
IUPAC Name8,9-dichloro-3-benzazepin-2-one
SMILESO=c1cc2c(Cl)c(Cl)ccc2ccn1
InChIInChI=1S/C10H5Cl2NO/c11-8-2-1-6-3-4-13-9(14)5-7(6)10(8)12/h1-5H
InChIKeyIFANAEYRNKSAOZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzazepin-2-one
CID 19092219
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
Cyclohepta[c]pyridin-3-one
CID 162167537
8-chloro-8aH-isoquinolin-3-one
CID 85439445

Frequently Asked Questions

What is the IUPAC name of 8,9-dichloro-3-benzazepin-2-one?
The IUPAC name of 8,9-dichloro-3-benzazepin-2-one (CID 154199506) is 8,9-dichloro-3-benzazepin-2-one.
What is the SMILES notation for 8,9-dichloro-3-benzazepin-2-one?
The canonical SMILES for 8,9-dichloro-3-benzazepin-2-one is O=c1cc2c(Cl)c(Cl)ccc2ccn1.
What is the InChIKey of 8,9-dichloro-3-benzazepin-2-one?
The InChIKey is IFANAEYRNKSAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO/c11-8-2-1-6-3-4-13-9(14)5-7(6)10(8)12/h1-5H.
What are the key properties of 8,9-dichloro-3-benzazepin-2-one?
8,9-dichloro-3-benzazepin-2-one has a molecular weight of 226.06 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-3-benzazepin-2-one is sourced from PubChem (CID 154199506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).