3,3-dimethylcyclobutene-1-carbonitrile

C7H9N — CID 91962457

IUPAC3,3-dimethylcyclobutene-1-carbonitrile
SMILESCC1(C)C=C(C#N)C1
InChIInChI=1S/C7H9N/c1-7(2)3-6(4-7)5-8/h3H,4H2,1-2H3
InChIKeyDSOKOJMIZYQKRY-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.87
Rot. Bonds

About 3,3-dimethylcyclobutene-1-carbonitrile

3,3-dimethylcyclobutene-1-carbonitrile (PubChem CID 91962457) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 3,3-dimethylcyclobutene-1-carbonitrile.

Molecular Properties

Compound Name3,3-dimethylcyclobutene-1-carbonitrile
PubChem CID91962457
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name3,3-dimethylcyclobutene-1-carbonitrile
SMILESCC1(C)C=C(C#N)C1
InChIInChI=1S/C7H9N/c1-7(2)3-6(4-7)5-8/h3H,4H2,1-2H3
InChIKeyDSOKOJMIZYQKRY-UHFFFAOYSA-N
XLogP1.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7,7-dimethylcyclohepta-1,3-diene-1-carbonitrile
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(1S,5R)-tricyclo[3.3.3.01,5]undeca-2,7-diene-2,7-dicarbonitrile
CID 55255619
7-amino-3,3-dimethylcyclohepta-1,6-diene-1-carbonitrile
CID 137427537
1,2-dimethylcycloprop-2-ene-1-carbonitrile
CID 119098374
5-chloro-5-(trifluoromethyl)cyclohexa-1,3-diene-1,3-dicarbonitrile
CID 150521115
1-amino-3,3-dimethyl-4H-naphthalene-2-carbonitrile
CID 2842471
4,4,6-trimethyl-2-oxo-1,3-dihydropyridine-5-carbonitrile
CID 10607116
4-chloro-2-(1-methylcyclobutyl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclobutene-1-carbonitrile?
The IUPAC name of 3,3-dimethylcyclobutene-1-carbonitrile (CID 91962457) is 3,3-dimethylcyclobutene-1-carbonitrile.
What is the SMILES notation for 3,3-dimethylcyclobutene-1-carbonitrile?
The canonical SMILES for 3,3-dimethylcyclobutene-1-carbonitrile is CC1(C)C=C(C#N)C1.
What is the InChIKey of 3,3-dimethylcyclobutene-1-carbonitrile?
The InChIKey is DSOKOJMIZYQKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-7(2)3-6(4-7)5-8/h3H,4H2,1-2H3.
What are the key properties of 3,3-dimethylcyclobutene-1-carbonitrile?
3,3-dimethylcyclobutene-1-carbonitrile has a molecular weight of 107.16 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclobutene-1-carbonitrile is sourced from PubChem (CID 91962457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).