7-chloro-1H-1-benzazepine-2,3-dione

C10H6ClNO2 — CID 175535204

IUPAC7-chloro-1H-1-benzazepine-2,3-dione
SMILESO=c1ccc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C10H6ClNO2/c11-7-2-3-8-6(5-7)1-4-9(13)10(14)12-8/h1-5H,(H,12,13,14)
InChIKeyOZMVJNRAMIZPHN-UHFFFAOYSA-N
MW207.62 g/mol
LogP1.54
Rot. Bonds

About 7-chloro-1H-1-benzazepine-2,3-dione

7-chloro-1H-1-benzazepine-2,3-dione (PubChem CID 175535204) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 7-chloro-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name7-chloro-1H-1-benzazepine-2,3-dione
PubChem CID175535204
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name7-chloro-1H-1-benzazepine-2,3-dione
SMILESO=c1ccc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C10H6ClNO2/c11-7-2-3-8-6(5-7)1-4-9(13)10(14)12-8/h1-5H,(H,12,13,14)
InChIKeyOZMVJNRAMIZPHN-UHFFFAOYSA-N
XLogP1.54
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 166443744
6-chloro-3-(2-chlorophenyl)-1H-quinolin-2-one
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8-chloro-1H-1,5-benzodiazepine-2,3-dione
CID 23354162
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
CID 170632349
3-(4-aminobutyl)-6-chloro-1H-quinolin-2-one
CID 84634074
7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one
CID 87164630
(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 10945159
6-(4-chlorophenyl)-1H-quinolin-2-one
CID 67364248
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
CID 170632452

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-1-benzazepine-2,3-dione?
The IUPAC name of 7-chloro-1H-1-benzazepine-2,3-dione (CID 175535204) is 7-chloro-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 7-chloro-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 7-chloro-1H-1-benzazepine-2,3-dione is O=c1ccc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 7-chloro-1H-1-benzazepine-2,3-dione?
The InChIKey is OZMVJNRAMIZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-7-2-3-8-6(5-7)1-4-9(13)10(14)12-8/h1-5H,(H,12,13,14).
What are the key properties of 7-chloro-1H-1-benzazepine-2,3-dione?
7-chloro-1H-1-benzazepine-2,3-dione has a molecular weight of 207.62 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 175535204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).