2-methylindol-4-one

C9H7NO — CID 19850284

IUPAC2-methylindol-4-one
SMILESCC1=NC2=CC=CC(=O)C2=C1
InChIInChI=1S/C9H7NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5H,1H3
InChIKeyBDGVPIXMJCZQJQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.41
Rot. Bonds

About 2-methylindol-4-one

2-methylindol-4-one (PubChem CID 19850284) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-methylindol-4-one.

Molecular Properties

Compound Name2-methylindol-4-one
PubChem CID19850284
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name2-methylindol-4-one
SMILESCC1=NC2=CC=CC(=O)C2=C1
InChIInChI=1S/C9H7NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5H,1H3
InChIKeyBDGVPIXMJCZQJQ-UHFFFAOYSA-N
XLogP1.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Indol-4-one
CID 22392037
Carbazol-4-one
CID 17898003
Carbazol-2-one
CID 18428414
1-Fluorocarbazol-4-one
CID 87892356
4-Fluoro-2-methylindol-5-one
CID 150426769
Indeno[2,1-b]quinolineone
CID 129833724
Dibenzo[b,f]azepinone
CID 129860341
Benzo[b]carbazolone
CID 172432368
Acridine-1,7-dione
CID 17865062
Carbazol-4-one hydrochloride
CID 17898002
1-Methylcarbazol-4-one
CID 19969783
1-Methylcarbazol-4-one;hydrochloride
CID 20152451

Frequently Asked Questions

What is the IUPAC name of 2-methylindol-4-one?
The IUPAC name of 2-methylindol-4-one (CID 19850284) is 2-methylindol-4-one.
What is the SMILES notation for 2-methylindol-4-one?
The canonical SMILES for 2-methylindol-4-one is CC1=NC2=CC=CC(=O)C2=C1.
What is the InChIKey of 2-methylindol-4-one?
The InChIKey is BDGVPIXMJCZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5H,1H3.
What are the key properties of 2-methylindol-4-one?
2-methylindol-4-one has a molecular weight of 145.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylindol-4-one is sourced from PubChem (CID 19850284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).