1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone

C15H16N2O2 — CID 166245873

IUPAC1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
SMILESCC(=O)c1ccc2cc(C(=O)N3CCCC3)[nH]c2c1
InChIInChI=1S/C15H16N2O2/c1-10(18)11-4-5-12-9-14(16-13(12)8-11)15(19)17-6-2-3-7-17/h4-5,8-9,16H,2-3,6-7H2,1H3
InChIKeyZBQQKMARMADBEZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.61
Rot. Bonds2

About 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone

1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone (PubChem CID 166245873) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
PubChem CID166245873
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
SMILESCC(=O)c1ccc2cc(C(=O)N3CCCC3)[nH]c2c1
InChIInChI=1S/C15H16N2O2/c1-10(18)11-4-5-12-9-14(16-13(12)8-11)15(19)17-6-2-3-7-17/h4-5,8-9,16H,2-3,6-7H2,1H3
InChIKeyZBQQKMARMADBEZ-UHFFFAOYSA-N
XLogP2.61
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]benzonitrile
CID 133457261
1-[4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9188693
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
1-(azepan-1-yl)-2-[4-(6-methyl-1H-indole-2-carbonyl)piperazin-1-yl]ethanone
CID 55559402
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
1-[3-(azetidine-1-carbonyl)phenyl]ethanone
CID 146014974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone?
The IUPAC name of 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone (CID 166245873) is 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone.
What is the SMILES notation for 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone?
The canonical SMILES for 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone is CC(=O)c1ccc2cc(C(=O)N3CCCC3)[nH]c2c1.
What is the InChIKey of 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone?
The InChIKey is ZBQQKMARMADBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(18)11-4-5-12-9-14(16-13(12)8-11)15(19)17-6-2-3-7-17/h4-5,8-9,16H,2-3,6-7H2,1H3.
What are the key properties of 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone?
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone has a molecular weight of 256.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone is sourced from PubChem (CID 166245873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).