cyclopenta-1,3-diene-1,2-dicarbonitrile

C7H4N2 — CID 12846952

IUPACcyclopenta-1,3-diene-1,2-dicarbonitrile
SMILESN#CC1=C(C#N)CC=C1
InChIInChI=1S/C7H4N2/c8-4-6-2-1-3-7(6)5-9/h1-2H,3H2
InChIKeyFAMRLSBVZVLPMA-UHFFFAOYSA-N
MW116.12 g/mol
LogP1.29
Rot. Bonds

About cyclopenta-1,3-diene-1,2-dicarbonitrile

cyclopenta-1,3-diene-1,2-dicarbonitrile (PubChem CID 12846952) has the molecular formula C7H4N2 and a molecular weight of 116.12 g/mol. Its IUPAC name is cyclopenta-1,3-diene-1,2-dicarbonitrile.

Molecular Properties

Compound Namecyclopenta-1,3-diene-1,2-dicarbonitrile
PubChem CID12846952
Molecular FormulaC7H4N2
Molecular Weight116.12 g/mol
Exact Mass116.04
IUPAC Namecyclopenta-1,3-diene-1,2-dicarbonitrile
SMILESN#CC1=C(C#N)CC=C1
InChIInChI=1S/C7H4N2/c8-4-6-2-1-3-7(6)5-9/h1-2H,3H2
InChIKeyFAMRLSBVZVLPMA-UHFFFAOYSA-N
XLogP1.29
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene-1,2-dicarbonitrile?
The IUPAC name of cyclopenta-1,3-diene-1,2-dicarbonitrile (CID 12846952) is cyclopenta-1,3-diene-1,2-dicarbonitrile.
What is the SMILES notation for cyclopenta-1,3-diene-1,2-dicarbonitrile?
The canonical SMILES for cyclopenta-1,3-diene-1,2-dicarbonitrile is N#CC1=C(C#N)CC=C1.
What is the InChIKey of cyclopenta-1,3-diene-1,2-dicarbonitrile?
The InChIKey is FAMRLSBVZVLPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2/c8-4-6-2-1-3-7(6)5-9/h1-2H,3H2.
What are the key properties of cyclopenta-1,3-diene-1,2-dicarbonitrile?
cyclopenta-1,3-diene-1,2-dicarbonitrile has a molecular weight of 116.12 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene-1,2-dicarbonitrile is sourced from PubChem (CID 12846952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).