3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

C19H21N3O — CID 94783773

IUPAC3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc[nH]1
InChIInChI=1S/C19H21N3O/c23-19(22-12-4-8-18(22)17-7-3-11-20-17)10-9-14-13-21-16-6-2-1-5-15(14)16/h1-3,5-7,11,13,18,20-21H,4,8-10,12H2/t18-/m0/s1
InChIKeyNNMHSHRZVWOTQY-SFHVURJKSA-N
MW307.40 g/mol
LogP3.79
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 94783773) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID94783773
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc[nH]1
InChIInChI=1S/C19H21N3O/c23-19(22-12-4-8-18(22)17-7-3-11-20-17)10-9-14-13-21-16-6-2-1-5-15(14)16/h1-3,5-7,11,13,18,20-21H,4,8-10,12H2/t18-/m0/s1
InChIKeyNNMHSHRZVWOTQY-SFHVURJKSA-N
XLogP3.79
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-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-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 94787896
6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114854
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466
3-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 50980068
2-(6-chloro-1H-indol-3-yl)-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 95232987
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 51269932
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 79203455
4-(1H-indol-3-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butan-1-one
CID 8010073
1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 92615778
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
2-(2-aminophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 61108059

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 94783773) is 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc[nH]1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is NNMHSHRZVWOTQY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(22-12-4-8-18(22)17-7-3-11-20-17)10-9-14-13-21-16-6-2-1-5-15(14)16/h1-3,5-7,11,13,18,20-21H,4,8-10,12H2/t18-/m0/s1.
What are the key properties of 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 307.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 94783773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).