1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone

C14H16N2O — CID 913151

IUPAC1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O/c17-14(10-16-7-3-4-8-16)12-9-15-13-6-2-1-5-11(12)13/h1-2,5-6,9,15H,3-4,7-8,10H2
InChIKeyXIWLOVMUYRJWDB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.45
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone

1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 913151) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
PubChem CID913151
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O/c17-14(10-16-7-3-4-8-16)12-9-15-13-6-2-1-5-11(12)13/h1-2,5-6,9,15H,3-4,7-8,10H2
InChIKeyXIWLOVMUYRJWDB-UHFFFAOYSA-N
XLogP2.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
CID 14192560
4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-2-one
CID 26304691
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
2-[4-(2-bromobenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659733
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone (CID 913151) is 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is XIWLOVMUYRJWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(10-16-7-3-4-8-16)12-9-15-13-6-2-1-5-11(12)13/h1-2,5-6,9,15H,3-4,7-8,10H2.
What are the key properties of 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone?
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 228.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 913151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).