1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile

C10H11N5 — CID 112595164

IUPAC1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CC2CCNC2)c1C#N
InChIInChI=1S/C10H11N5/c11-3-9-10(4-12)15(7-14-9)6-8-1-2-13-5-8/h7-8,13H,1-2,5-6H2
InChIKeyOOKNPRCSTAMNKX-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.24
Rot. Bonds2

About 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile

1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595164) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile
PubChem CID112595164
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CC2CCNC2)c1C#N
InChIInChI=1S/C10H11N5/c11-3-9-10(4-12)15(7-14-9)6-8-1-2-13-5-8/h7-8,13H,1-2,5-6H2
InChIKeyOOKNPRCSTAMNKX-UHFFFAOYSA-N
XLogP0.24
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile (CID 112595164) is 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(CC2CCNC2)c1C#N.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is OOKNPRCSTAMNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-3-9-10(4-12)15(7-14-9)6-8-1-2-13-5-8/h7-8,13H,1-2,5-6H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile?
1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 201.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).