4-methylindol-2-one

C9H7NO — CID 46739844

IUPAC4-methylindol-2-one
SMILESCc1cccc2c1=CC(=O)N=2
InChIInChI=1S/C9H7NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-5H,1H3
InChIKeyXUZJTXYJLAMRAB-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.06
Rot. Bonds

About 4-methylindol-2-one

4-methylindol-2-one (PubChem CID 46739844) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-methylindol-2-one.

Molecular Properties

Compound Name4-methylindol-2-one
PubChem CID46739844
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name4-methylindol-2-one
SMILESCc1cccc2c1=CC(=O)N=2
InChIInChI=1S/C9H7NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-5H,1H3
InChIKeyXUZJTXYJLAMRAB-UHFFFAOYSA-N
XLogP-0.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
6-Bromoindole-2-one
CID 22038270
1-Benzazepin-2-one
CID 20244764
Fluoro-indolone
CID 54356889
5-Chloroindole-2-one
CID 20284810
5-Bromoindol-2-one
CID 46739842
6-Chloroindole-2-one
CID 46739848
Benzazoninone
CID 20269004
Cyclopenta[c]quinolin-4-one
CID 20502643
3-Methyl-oxoindole
CID 21477845
Indolone-1-oxide
CID 21665805
Cyclopenta-(b)-pyridinone
CID 129707027

Frequently Asked Questions

What is the IUPAC name of 4-methylindol-2-one?
The IUPAC name of 4-methylindol-2-one (CID 46739844) is 4-methylindol-2-one.
What is the SMILES notation for 4-methylindol-2-one?
The canonical SMILES for 4-methylindol-2-one is Cc1cccc2c1=CC(=O)N=2.
What is the InChIKey of 4-methylindol-2-one?
The InChIKey is XUZJTXYJLAMRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-5H,1H3.
What are the key properties of 4-methylindol-2-one?
4-methylindol-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylindol-2-one is sourced from PubChem (CID 46739844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).