cyclopentane-1,3-dicarbonitrile

C7H8N2 — CID 19692437

IUPACcyclopentane-1,3-dicarbonitrile
SMILESN#CC1CCC(C#N)C1
InChIInChI=1S/C7H8N2/c8-4-6-1-2-7(3-6)5-9/h6-7H,1-3H2
InChIKeyWTCVYLHHOIARML-UHFFFAOYSA-N
MW120.16 g/mol
LogP1.45
Rot. Bonds

About cyclopentane-1,3-dicarbonitrile

cyclopentane-1,3-dicarbonitrile (PubChem CID 19692437) has the molecular formula C7H8N2 and a molecular weight of 120.16 g/mol. Its IUPAC name is cyclopentane-1,3-dicarbonitrile.

Molecular Properties

Compound Namecyclopentane-1,3-dicarbonitrile
PubChem CID19692437
Molecular FormulaC7H8N2
Molecular Weight120.16 g/mol
Exact Mass120.07
IUPAC Namecyclopentane-1,3-dicarbonitrile
SMILESN#CC1CCC(C#N)C1
InChIInChI=1S/C7H8N2/c8-4-6-1-2-7(3-6)5-9/h6-7H,1-3H2
InChIKeyWTCVYLHHOIARML-UHFFFAOYSA-N
XLogP1.45
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.16
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentane-1,3-dicarbonitrile?
The IUPAC name of cyclopentane-1,3-dicarbonitrile (CID 19692437) is cyclopentane-1,3-dicarbonitrile.
What is the SMILES notation for cyclopentane-1,3-dicarbonitrile?
The canonical SMILES for cyclopentane-1,3-dicarbonitrile is N#CC1CCC(C#N)C1.
What is the InChIKey of cyclopentane-1,3-dicarbonitrile?
The InChIKey is WTCVYLHHOIARML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c8-4-6-1-2-7(3-6)5-9/h6-7H,1-3H2.
What are the key properties of cyclopentane-1,3-dicarbonitrile?
cyclopentane-1,3-dicarbonitrile has a molecular weight of 120.16 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane-1,3-dicarbonitrile is sourced from PubChem (CID 19692437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).