[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone

C20H20N2O — CID 113086415

IUPAC[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O/c23-20(15-7-2-1-3-8-15)22-12-6-9-17(22)13-16-14-21-19-11-5-4-10-18(16)19/h1-5,7-8,10-11,14,17,21H,6,9,12-13H2
InChIKeySOHKGLFHRBGYHN-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.02
Rot. Bonds3

About [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone

[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone (PubChem CID 113086415) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
PubChem CID113086415
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O/c23-20(15-7-2-1-3-8-15)22-12-6-9-17(22)13-16-14-21-19-11-5-4-10-18(16)19/h1-5,7-8,10-11,14,17,21H,6,9,12-13H2
InChIKeySOHKGLFHRBGYHN-UHFFFAOYSA-N
XLogP4.02
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone 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

[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113086455
(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 113086444
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
4-benzoyl-N-[2-(benzylamino)ethyl]-3-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 150242398
3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-1H-indole
CID 113086472
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone
CID 138058230
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
1-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 74004477

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone (CID 113086415) is [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC1Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is SOHKGLFHRBGYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20(15-7-2-1-3-8-15)22-12-6-9-17(22)13-16-14-21-19-11-5-4-10-18(16)19/h1-5,7-8,10-11,14,17,21H,6,9,12-13H2.
What are the key properties of [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone?
[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 304.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 113086415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).