2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone

C16H20N2O2 — CID 115648322

IUPAC2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCC(CCO)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c19-8-6-12-5-7-18(10-12)11-16(20)14-9-17-15-4-2-1-3-13(14)15/h1-4,9,12,17,19H,5-8,10-11H2
InChIKeyASIBPRSMLCFXJU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.05
Rot. Bonds5

About 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone (PubChem CID 115648322) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
PubChem CID115648322
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCC(CCO)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O2/c19-8-6-12-5-7-18(10-12)11-16(20)14-9-17-15-4-2-1-3-13(14)15/h1-4,9,12,17,19H,5-8,10-11H2
InChIKeyASIBPRSMLCFXJU-UHFFFAOYSA-N
XLogP2.05
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
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-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 71933432
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
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
4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride
CID 21394682
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone (CID 115648322) is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone is O=C(CN1CCC(CCO)C1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is ASIBPRSMLCFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-8-6-12-5-7-18(10-12)11-16(20)14-9-17-15-4-2-1-3-13(14)15/h1-4,9,12,17,19H,5-8,10-11H2.
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone?
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 115648322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).