4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one

C16H20N2O — CID 18108564

IUPAC4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C16H20N2O/c19-16(18-10-3-4-11-18)9-5-6-13-12-17-15-8-2-1-7-14(13)15/h1-2,7-8,12,17H,3-6,9-11H2
InChIKeyYRLFNTODARKIBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.11
Rot. Bonds4

About 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one

4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 18108564) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID18108564
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESO=C(CCCc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C16H20N2O/c19-16(18-10-3-4-11-18)9-5-6-13-12-17-15-8-2-1-7-14(13)15/h1-2,7-8,12,17H,3-6,9-11H2
InChIKeyYRLFNTODARKIBF-UHFFFAOYSA-N
XLogP3.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
4-(1H-indol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 56911441
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
4-(1H-indol-3-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 17467441
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 27040696
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
1-[4-(1H-indol-3-yl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256041
9-[4-(1H-indol-3-yl)butanoyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56757453

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one (CID 18108564) is 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one is O=C(CCCc1c[nH]c2ccccc12)N1CCCC1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is YRLFNTODARKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(18-10-3-4-11-18)9-5-6-13-12-17-15-8-2-1-7-14(13)15/h1-2,7-8,12,17H,3-6,9-11H2.
What are the key properties of 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one?
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 18108564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).