1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile

C15H17N3 — CID 171079929

IUPAC1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3/c16-10-13-4-3-8-18(13)9-7-12-11-17-15-6-2-1-5-14(12)15/h1-2,5-6,11,13,17H,3-4,7-9H2
InChIKeyXEZJITIFHCPKKO-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.70
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile

1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile (PubChem CID 171079929) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile
PubChem CID171079929
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3/c16-10-13-4-3-8-18(13)9-7-12-11-17-15-6-2-1-5-14(12)15/h1-2,5-6,11,13,17H,3-4,7-9H2
InChIKeyXEZJITIFHCPKKO-UHFFFAOYSA-N
XLogP2.70
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-(1H-indol-3-yl)ethyl]-4-propyl-3,6-dihydro-2H-pyridine-2-carbonitrile
CID 76764287
(2S)-1-[2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-oxazol-5-yl]pyrrolidine-2-carbonitrile
CID 169260023
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
CID 171080006
propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate
CID 171080037
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
3-[2-(3,4-dihydro-2H-pyridin-1-yl)ethyl]-1H-indole
CID 14090369
2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol
CID 75971095
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole
CID 166106987
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile (CID 171079929) is 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile is N#CC1CCCN1CCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile?
The InChIKey is XEZJITIFHCPKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-10-13-4-3-8-18(13)9-7-12-11-17-15-6-2-1-5-14(12)15/h1-2,5-6,11,13,17H,3-4,7-9H2.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile?
1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 171079929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).