cyclobutadienecarbonitrile

C5H3N — CID 101482689

IUPACcyclobutadienecarbonitrile
SMILESN#CC1=CC=C1
InChIInChI=1S/C5H3N/c6-4-5-2-1-3-5/h1-3H
InChIKeyVGZONCRDMHXKID-UHFFFAOYSA-N
MW77.09 g/mol
LogP1.01
Rot. Bonds

About cyclobutadienecarbonitrile

cyclobutadienecarbonitrile (PubChem CID 101482689) has the molecular formula C5H3N and a molecular weight of 77.09 g/mol. Its IUPAC name is cyclobutadienecarbonitrile.

Molecular Properties

Compound Namecyclobutadienecarbonitrile
PubChem CID101482689
Molecular FormulaC5H3N
Molecular Weight77.09 g/mol
Exact Mass77.03
IUPAC Namecyclobutadienecarbonitrile
SMILESN#CC1=CC=C1
InChIInChI=1S/C5H3N/c6-4-5-2-1-3-5/h1-3H
InChIKeyVGZONCRDMHXKID-UHFFFAOYSA-N
XLogP1.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.09
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Benzonitrile;ZINC
CID 134854609
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CID 126513418

Frequently Asked Questions

What is the IUPAC name of cyclobutadienecarbonitrile?
The IUPAC name of cyclobutadienecarbonitrile (CID 101482689) is cyclobutadienecarbonitrile.
What is the SMILES notation for cyclobutadienecarbonitrile?
The canonical SMILES for cyclobutadienecarbonitrile is N#CC1=CC=C1.
What is the InChIKey of cyclobutadienecarbonitrile?
The InChIKey is VGZONCRDMHXKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N/c6-4-5-2-1-3-5/h1-3H.
What are the key properties of cyclobutadienecarbonitrile?
cyclobutadienecarbonitrile has a molecular weight of 77.09 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutadienecarbonitrile is sourced from PubChem (CID 101482689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).