3-chloroindol-2-one

C8H4ClNO — CID 141190341

IUPAC3-chloroindol-2-one
SMILESO=C1N=c2ccccc2=C1Cl
InChIInChI=1S/C8H4ClNO/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4H
InChIKeyLIPMHJNRMIYFFC-UHFFFAOYSA-N
MW165.58 g/mol
LogP0.19
Rot. Bonds

About 3-chloroindol-2-one

3-chloroindol-2-one (PubChem CID 141190341) has the molecular formula C8H4ClNO and a molecular weight of 165.58 g/mol. Its IUPAC name is 3-chloroindol-2-one.

Molecular Properties

Compound Name3-chloroindol-2-one
PubChem CID141190341
Molecular FormulaC8H4ClNO
Molecular Weight165.58 g/mol
Exact Mass165.00
IUPAC Name3-chloroindol-2-one
SMILESO=C1N=c2ccccc2=C1Cl
InChIInChI=1S/C8H4ClNO/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4H
InChIKeyLIPMHJNRMIYFFC-UHFFFAOYSA-N
XLogP0.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloroindol-2-one?
The IUPAC name of 3-chloroindol-2-one (CID 141190341) is 3-chloroindol-2-one.
What is the SMILES notation for 3-chloroindol-2-one?
The canonical SMILES for 3-chloroindol-2-one is O=C1N=c2ccccc2=C1Cl.
What is the InChIKey of 3-chloroindol-2-one?
The InChIKey is LIPMHJNRMIYFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4H.
What are the key properties of 3-chloroindol-2-one?
3-chloroindol-2-one has a molecular weight of 165.58 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroindol-2-one is sourced from PubChem (CID 141190341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).