cyclobuta-1,3-diene-1,3-dicarbonitrile

C6H2N2 — CID 101482688

IUPACcyclobuta-1,3-diene-1,3-dicarbonitrile
SMILESN#CC1=CC(C#N)=C1
InChIInChI=1S/C6H2N2/c7-3-5-1-6(2-5)4-8/h1-2H
InChIKeyBKMBXNOVQPKJFF-UHFFFAOYSA-N
MW102.10 g/mol
LogP0.90
Rot. Bonds

About cyclobuta-1,3-diene-1,3-dicarbonitrile

cyclobuta-1,3-diene-1,3-dicarbonitrile (PubChem CID 101482688) has the molecular formula C6H2N2 and a molecular weight of 102.10 g/mol. Its IUPAC name is cyclobuta-1,3-diene-1,3-dicarbonitrile.

Molecular Properties

Compound Namecyclobuta-1,3-diene-1,3-dicarbonitrile
PubChem CID101482688
Molecular FormulaC6H2N2
Molecular Weight102.10 g/mol
Exact Mass102.02
IUPAC Namecyclobuta-1,3-diene-1,3-dicarbonitrile
SMILESN#CC1=CC(C#N)=C1
InChIInChI=1S/C6H2N2/c7-3-5-1-6(2-5)4-8/h1-2H
InChIKeyBKMBXNOVQPKJFF-UHFFFAOYSA-N
XLogP0.90
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.10
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutadienecarbonitrile
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4,8-diamino-s-indacene-2-carbonitrile
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3-methylcyclohepta-1,3,5,6-tetraene-1-carbonitrile
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benzene-1,2,4,5-tetracarbonitrile
CID 12838
azane;benzene-1,4-dicarbonitrile
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CID 101355421
CID 101355421
(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene-1,2,3,4,5,6,7,8-octacarbonitrile
CID 122363126
2-(5-cyano-1,3-diphosphinin-2-yl)-1,3-diphosphinine-5-carbonitrile
CID 142732987
1,1-dimethylpyrazol-1-ium-4-carbonitrile
CID 123338072
3H-azepine-6-carbonitrile
CID 57204186
4,5-diethylcyclohexa-1,5-diene-1-carbonitrile
CID 142307277

Frequently Asked Questions

What is the IUPAC name of cyclobuta-1,3-diene-1,3-dicarbonitrile?
The IUPAC name of cyclobuta-1,3-diene-1,3-dicarbonitrile (CID 101482688) is cyclobuta-1,3-diene-1,3-dicarbonitrile.
What is the SMILES notation for cyclobuta-1,3-diene-1,3-dicarbonitrile?
The canonical SMILES for cyclobuta-1,3-diene-1,3-dicarbonitrile is N#CC1=CC(C#N)=C1.
What is the InChIKey of cyclobuta-1,3-diene-1,3-dicarbonitrile?
The InChIKey is BKMBXNOVQPKJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N2/c7-3-5-1-6(2-5)4-8/h1-2H.
What are the key properties of cyclobuta-1,3-diene-1,3-dicarbonitrile?
cyclobuta-1,3-diene-1,3-dicarbonitrile has a molecular weight of 102.10 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobuta-1,3-diene-1,3-dicarbonitrile is sourced from PubChem (CID 101482688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).