3-pyrrolidin-1-ylcyclopentane-1-carbonitrile

C10H16N2 — CID 66606018

IUPAC3-pyrrolidin-1-ylcyclopentane-1-carbonitrile
SMILESN#CC1CCC(N2CCCC2)C1
InChIInChI=1S/C10H16N2/c11-8-9-3-4-10(7-9)12-5-1-2-6-12/h9-10H,1-7H2
InChIKeyGCEGHNSAFVFNIM-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.77
Rot. Bonds1

About 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile

3-pyrrolidin-1-ylcyclopentane-1-carbonitrile (PubChem CID 66606018) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-pyrrolidin-1-ylcyclopentane-1-carbonitrile
PubChem CID66606018
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-pyrrolidin-1-ylcyclopentane-1-carbonitrile
SMILESN#CC1CCC(N2CCCC2)C1
InChIInChI=1S/C10H16N2/c11-8-9-3-4-10(7-9)12-5-1-2-6-12/h9-10H,1-7H2
InChIKeyGCEGHNSAFVFNIM-UHFFFAOYSA-N
XLogP1.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The IUPAC name of 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile (CID 66606018) is 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile is N#CC1CCC(N2CCCC2)C1.
What is the InChIKey of 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
The InChIKey is GCEGHNSAFVFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-8-9-3-4-10(7-9)12-5-1-2-6-12/h9-10H,1-7H2.
What are the key properties of 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile?
3-pyrrolidin-1-ylcyclopentane-1-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 66606018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).