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

C14H16N2O — CID 116916989

IUPAC1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O/c17-14(8-10-4-3-7-15-10)12-9-16-13-6-2-1-5-11(12)13/h1-2,5-6,9-10,15-16H,3-4,7-8H2
InChIKeyCCCCRRGSJOZCIK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.49
Rot. Bonds3

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

1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 116916989) 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-2-ylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
PubChem CID116916989
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O/c17-14(8-10-4-3-7-15-10)12-9-16-13-6-2-1-5-11(12)13/h1-2,5-6,9-10,15-16H,3-4,7-8H2
InChIKeyCCCCRRGSJOZCIK-UHFFFAOYSA-N
XLogP2.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide
CID 106612620
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
CID 114607499
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
N-(2-methylpiperidin-3-yl)-1H-indole-3-carboxamide
CID 114694981
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone (CID 116916989) is 1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is CCCCRRGSJOZCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(8-10-4-3-7-15-10)12-9-16-13-6-2-1-5-11(12)13/h1-2,5-6,9-10,15-16H,3-4,7-8H2.
What are the key properties of 1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone?
1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 228.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 116916989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).