1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile

C12H15N3 — CID 13010022

IUPAC1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile
SMILESN#CC1Cn2cccc2C1N1CCCC1
InChIInChI=1S/C12H15N3/c13-8-10-9-15-7-3-4-11(15)12(10)14-5-1-2-6-14/h3-4,7,10,12H,1-2,5-6,9H2
InChIKeyALMAQENQAIFIGJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.78
Rot. Bonds1

About 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile

1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile (PubChem CID 13010022) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile
PubChem CID13010022
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile
SMILESN#CC1Cn2cccc2C1N1CCCC1
InChIInChI=1S/C12H15N3/c13-8-10-9-15-7-3-4-11(15)12(10)14-5-1-2-6-14/h3-4,7,10,12H,1-2,5-6,9H2
InChIKeyALMAQENQAIFIGJ-UHFFFAOYSA-N
XLogP1.78
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-cyano-5-ethylcyclohexyl)pyrrole-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile?
The IUPAC name of 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile (CID 13010022) is 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile.
What is the SMILES notation for 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile?
The canonical SMILES for 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile is N#CC1Cn2cccc2C1N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile?
The InChIKey is ALMAQENQAIFIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-8-10-9-15-7-3-4-11(15)12(10)14-5-1-2-6-14/h3-4,7,10,12H,1-2,5-6,9H2.
What are the key properties of 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile?
1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile is sourced from PubChem (CID 13010022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).