2-acetyl-7-chloro-3H-isoindol-1-one

C10H8ClNO2 — CID 23578048

IUPAC2-acetyl-7-chloro-3H-isoindol-1-one
SMILESCC(=O)N1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C10H8ClNO2/c1-6(13)12-5-7-3-2-4-8(11)9(7)10(12)14/h2-4H,5H2,1H3
InChIKeyDGXLILMMUPMEQD-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.84
Rot. Bonds

About 2-acetyl-7-chloro-3H-isoindol-1-one

2-acetyl-7-chloro-3H-isoindol-1-one (PubChem CID 23578048) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 2-acetyl-7-chloro-3H-isoindol-1-one.

Molecular Properties

Compound Name2-acetyl-7-chloro-3H-isoindol-1-one
PubChem CID23578048
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name2-acetyl-7-chloro-3H-isoindol-1-one
SMILESCC(=O)N1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C10H8ClNO2/c1-6(13)12-5-7-3-2-4-8(11)9(7)10(12)14/h2-4H,5H2,1H3
InChIKeyDGXLILMMUPMEQD-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-chloro-3H-isoindol-1-one?
The IUPAC name of 2-acetyl-7-chloro-3H-isoindol-1-one (CID 23578048) is 2-acetyl-7-chloro-3H-isoindol-1-one.
What is the SMILES notation for 2-acetyl-7-chloro-3H-isoindol-1-one?
The canonical SMILES for 2-acetyl-7-chloro-3H-isoindol-1-one is CC(=O)N1Cc2cccc(Cl)c2C1=O.
What is the InChIKey of 2-acetyl-7-chloro-3H-isoindol-1-one?
The InChIKey is DGXLILMMUPMEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6(13)12-5-7-3-2-4-8(11)9(7)10(12)14/h2-4H,5H2,1H3.
What are the key properties of 2-acetyl-7-chloro-3H-isoindol-1-one?
2-acetyl-7-chloro-3H-isoindol-1-one has a molecular weight of 209.63 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-chloro-3H-isoindol-1-one is sourced from PubChem (CID 23578048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).