3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile

C13H15N3 — CID 115559870

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CC2CCCC2C1
InChIInChI=1S/C13H15N3/c14-6-10-4-5-15-7-13(10)16-8-11-2-1-3-12(11)9-16/h4-5,7,11-12H,1-3,8-9H2
InChIKeyWLYCADFFHZFBAI-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.19
Rot. Bonds1

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile (PubChem CID 115559870) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile
PubChem CID115559870
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CC2CCCC2C1
InChIInChI=1S/C13H15N3/c14-6-10-4-5-15-7-13(10)16-8-11-2-1-3-12(11)9-16/h4-5,7,11-12H,1-3,8-9H2
InChIKeyWLYCADFFHZFBAI-UHFFFAOYSA-N
XLogP2.19
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile (CID 115559870) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile is N#Cc1ccncc1N1CC2CCCC2C1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile?
The InChIKey is WLYCADFFHZFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-6-10-4-5-15-7-13(10)16-8-11-2-1-3-12(11)9-16/h4-5,7,11-12H,1-3,8-9H2.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 115559870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).