5-chloro-7-methylindol-2-one

C9H6ClNO — CID 46739857

IUPAC5-chloro-7-methylindol-2-one
SMILESCc1cc(Cl)cc2c1=NC(=O)C=2
InChIInChI=1S/C9H6ClNO/c1-5-2-7(10)3-6-4-8(12)11-9(5)6/h2-4H,1H3
InChIKeyAVRHIXYSDCMWQP-UHFFFAOYSA-N
MW179.61 g/mol
LogP0.59
Rot. Bonds

About 5-chloro-7-methylindol-2-one

5-chloro-7-methylindol-2-one (PubChem CID 46739857) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 5-chloro-7-methylindol-2-one.

Molecular Properties

Compound Name5-chloro-7-methylindol-2-one
PubChem CID46739857
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name5-chloro-7-methylindol-2-one
SMILESCc1cc(Cl)cc2c1=NC(=O)C=2
InChIInChI=1S/C9H6ClNO/c1-5-2-7(10)3-6-4-8(12)11-9(5)6/h2-4H,1H3
InChIKeyAVRHIXYSDCMWQP-UHFFFAOYSA-N
XLogP0.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methylindol-2-one?
The IUPAC name of 5-chloro-7-methylindol-2-one (CID 46739857) is 5-chloro-7-methylindol-2-one.
What is the SMILES notation for 5-chloro-7-methylindol-2-one?
The canonical SMILES for 5-chloro-7-methylindol-2-one is Cc1cc(Cl)cc2c1=NC(=O)C=2.
What is the InChIKey of 5-chloro-7-methylindol-2-one?
The InChIKey is AVRHIXYSDCMWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c1-5-2-7(10)3-6-4-8(12)11-9(5)6/h2-4H,1H3.
What are the key properties of 5-chloro-7-methylindol-2-one?
5-chloro-7-methylindol-2-one has a molecular weight of 179.61 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methylindol-2-one is sourced from PubChem (CID 46739857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).