3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile

C14H15N3 — CID 54191392

IUPAC3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
InChIInChI=1S/C14H15N3/c15-8-10-3-4-14-13(6-10)11(9-17-14)7-12-2-1-5-16-12/h3-4,6,9,12,16-17H,1-2,5,7H2/t12-/m1/s1
InChIKeyPITQWKQQWAVNNY-GFCCVEGCSA-N
MW225.30 g/mol
LogP2.33
Rot. Bonds2

About 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile

3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile (PubChem CID 54191392) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
PubChem CID54191392
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
InChIInChI=1S/C14H15N3/c15-8-10-3-4-14-13(6-10)11(9-17-14)7-12-2-1-5-16-12/h3-4,6,9,12,16-17H,1-2,5,7H2/t12-/m1/s1
InChIKeyPITQWKQQWAVNNY-GFCCVEGCSA-N
XLogP2.33
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile (CID 54191392) is 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1.
What is the InChIKey of 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile?
The InChIKey is PITQWKQQWAVNNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3/c15-8-10-3-4-14-13(6-10)11(9-17-14)7-12-2-1-5-16-12/h3-4,6,9,12,16-17H,1-2,5,7H2/t12-/m1/s1.
What are the key properties of 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile?
3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile has a molecular weight of 225.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 54191392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).