2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

C16H16N2O — CID 62023736

IUPAC2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCc1cc2ccccc2n1CC(=O)c1ccn(C)c1
InChIInChI=1S/C16H16N2O/c1-12-9-13-5-3-4-6-15(13)18(12)11-16(19)14-7-8-17(2)10-14/h3-10H,11H2,1-2H3
InChIKeyIXOXUKYZPUKSAL-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 62023736) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID62023736
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCc1cc2ccccc2n1CC(=O)c1ccn(C)c1
InChIInChI=1S/C16H16N2O/c1-12-9-13-5-3-4-6-15(13)18(12)11-16(19)14-7-8-17(2)10-14/h3-10H,11H2,1-2H3
InChIKeyIXOXUKYZPUKSAL-UHFFFAOYSA-N
XLogP3.17
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (CID 62023736) is 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is Cc1cc2ccccc2n1CC(=O)c1ccn(C)c1.
What is the InChIKey of 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is IXOXUKYZPUKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-9-13-5-3-4-6-15(13)18(12)11-16(19)14-7-8-17(2)10-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 252.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62023736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).