1-(1-methylindol-2-yl)ethanone

C11H11NO — CID 594158

IUPAC1-(1-methylindol-2-yl)ethanone
SMILESCC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C11H11NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h3-7H,1-2H3
InChIKeySVUKISNBRDNDMF-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.38
Rot. Bonds1

About 1-(1-methylindol-2-yl)ethanone

1-(1-methylindol-2-yl)ethanone (PubChem CID 594158) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(1-methylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylindol-2-yl)ethanone
PubChem CID594158
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(1-methylindol-2-yl)ethanone
SMILESCC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C11H11NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h3-7H,1-2H3
InChIKeySVUKISNBRDNDMF-UHFFFAOYSA-N
XLogP2.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-2-yl)ethanone?
The IUPAC name of 1-(1-methylindol-2-yl)ethanone (CID 594158) is 1-(1-methylindol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methylindol-2-yl)ethanone?
The canonical SMILES for 1-(1-methylindol-2-yl)ethanone is CC(=O)c1cc2ccccc2n1C.
What is the InChIKey of 1-(1-methylindol-2-yl)ethanone?
The InChIKey is SVUKISNBRDNDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h3-7H,1-2H3.
What are the key properties of 1-(1-methylindol-2-yl)ethanone?
1-(1-methylindol-2-yl)ethanone has a molecular weight of 173.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-2-yl)ethanone is sourced from PubChem (CID 594158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).