1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde

C13H14N2O — CID 174747478

IUPAC1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1c1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O/c16-9-10-4-3-7-15(10)13-8-14-12-6-2-1-5-11(12)13/h1-2,5-6,8-10,14H,3-4,7H2
InChIKeyWRAVTXMVDJKRIA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.34
Rot. Bonds2

About 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde

1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde (PubChem CID 174747478) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde
PubChem CID174747478
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CCCN1c1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O/c16-9-10-4-3-7-15(10)13-8-14-12-6-2-1-5-11(12)13/h1-2,5-6,8-10,14H,3-4,7H2
InChIKeyWRAVTXMVDJKRIA-UHFFFAOYSA-N
XLogP2.34
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde 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

(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
3-piperazin-1-yl-1H-indole
CID 19379845
1-(1H-indol-3-yl)-2,3-dihydroindazole
CID 173336641
(2R,4R)-4-[[(2S)-2-formylpyrrolidin-1-yl]amino]-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid
CID 89190869
3-piperazin-1-yl-1H-indole;dihydrochloride
CID 172915789
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-1H-indole
CID 113086472
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde (CID 174747478) is 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde is O=CC1CCCN1c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde?
The InChIKey is WRAVTXMVDJKRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-9-10-4-3-7-15(10)13-8-14-12-6-2-1-5-11(12)13/h1-2,5-6,8-10,14H,3-4,7H2.
What are the key properties of 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde?
1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 174747478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).