3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile

C13H11N3 — CID 13375485

IUPAC3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
SMILESN#Cc1cc(-c2cccnc2)n2c1CCC2
InChIInChI=1S/C13H11N3/c14-8-11-7-13(10-3-1-5-15-9-10)16-6-2-4-12(11)16/h1,3,5,7,9H,2,4,6H2
InChIKeyYKXYNFLMXZEZSN-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.37
Rot. Bonds1

About 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile

3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile (PubChem CID 13375485) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
PubChem CID13375485
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
SMILESN#Cc1cc(-c2cccnc2)n2c1CCC2
InChIInChI=1S/C13H11N3/c14-8-11-7-13(10-3-1-5-15-9-10)16-6-2-4-12(11)16/h1,3,5,7,9H,2,4,6H2
InChIKeyYKXYNFLMXZEZSN-UHFFFAOYSA-N
XLogP2.37
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile?
The IUPAC name of 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile (CID 13375485) is 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile.
What is the SMILES notation for 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile?
The canonical SMILES for 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile is N#Cc1cc(-c2cccnc2)n2c1CCC2.
What is the InChIKey of 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile?
The InChIKey is YKXYNFLMXZEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-8-11-7-13(10-3-1-5-15-9-10)16-6-2-4-12(11)16/h1,3,5,7,9H,2,4,6H2.
What are the key properties of 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile?
3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile is sourced from PubChem (CID 13375485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).