2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile

C10H17N3 — CID 85073188

IUPAC2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCCC1CN1CCCC1
InChIInChI=1S/C10H17N3/c11-9-13-7-3-4-10(13)8-12-5-1-2-6-12/h10H,1-8H2
InChIKeyFWFSLNYCTKGPEW-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.03
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile

2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile (PubChem CID 85073188) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile
PubChem CID85073188
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCCC1CN1CCCC1
InChIInChI=1S/C10H17N3/c11-9-13-7-3-4-10(13)8-12-5-1-2-6-12/h10H,1-8H2
InChIKeyFWFSLNYCTKGPEW-UHFFFAOYSA-N
XLogP1.03
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile (CID 85073188) is 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile is N#CN1CCCC1CN1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile?
The InChIKey is FWFSLNYCTKGPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-9-13-7-3-4-10(13)8-12-5-1-2-6-12/h10H,1-8H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile?
2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile is sourced from PubChem (CID 85073188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).