3-methylidenecyclobutene-1-carbonitrile

C6H5N — CID 13159323

IUPAC3-methylidenecyclobutene-1-carbonitrile
SMILESC=C1C=C(C#N)C1
InChIInChI=1S/C6H5N/c1-5-2-6(3-5)4-7/h2H,1,3H2
InChIKeyWKVIEPDAIZBPPR-UHFFFAOYSA-N
MW91.11 g/mol
LogP1.40
Rot. Bonds

About 3-methylidenecyclobutene-1-carbonitrile

3-methylidenecyclobutene-1-carbonitrile (PubChem CID 13159323) has the molecular formula C6H5N and a molecular weight of 91.11 g/mol. Its IUPAC name is 3-methylidenecyclobutene-1-carbonitrile.

Molecular Properties

Compound Name3-methylidenecyclobutene-1-carbonitrile
PubChem CID13159323
Molecular FormulaC6H5N
Molecular Weight91.11 g/mol
Exact Mass91.04
IUPAC Name3-methylidenecyclobutene-1-carbonitrile
SMILESC=C1C=C(C#N)C1
InChIInChI=1S/C6H5N/c1-5-2-6(3-5)4-7/h2H,1,3H2
InChIKeyWKVIEPDAIZBPPR-UHFFFAOYSA-N
XLogP1.40
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentadienecarbonitrile
CID 141366
1-Cyclopentene-1-carbonitrile
CID 137808
1,3-Cyclopentadiene-1,2-dicarbonitrile
CID 12846952
4-Methyl-cyclopenta-1,3-dienecarbonitrile
CID 15566433
1,3-Cyclopentadiene-1,3-dicarbonitrile
CID 12846953
Cyclohexa-1,3-diene-1-carbonitrile
CID 13153847
1-Cyclobutene-1-carbonitrile
CID 13999396
Cyanocycloheptatriene
CID 14415592
1,5-Cyclohexadien-1-carbonitrile
CID 18540244
2-Cyclopenta-1,4-dien-1-ylacetonitrile
CID 42552646
Cyanoquinodimethane
CID 101698574
2-Methyl-1,3-cyclopentadiene-1-carbonitrile
CID 129654468

Frequently Asked Questions

What is the IUPAC name of 3-methylidenecyclobutene-1-carbonitrile?
The IUPAC name of 3-methylidenecyclobutene-1-carbonitrile (CID 13159323) is 3-methylidenecyclobutene-1-carbonitrile.
What is the SMILES notation for 3-methylidenecyclobutene-1-carbonitrile?
The canonical SMILES for 3-methylidenecyclobutene-1-carbonitrile is C=C1C=C(C#N)C1.
What is the InChIKey of 3-methylidenecyclobutene-1-carbonitrile?
The InChIKey is WKVIEPDAIZBPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N/c1-5-2-6(3-5)4-7/h2H,1,3H2.
What are the key properties of 3-methylidenecyclobutene-1-carbonitrile?
3-methylidenecyclobutene-1-carbonitrile has a molecular weight of 91.11 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenecyclobutene-1-carbonitrile is sourced from PubChem (CID 13159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).