2,3-dimethylcyclobutane-1-carbonitrile

C7H11N — CID 123673485

IUPAC2,3-dimethylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)C1C
InChIInChI=1S/C7H11N/c1-5-3-7(4-8)6(5)2/h5-7H,3H2,1-2H3
InChIKeyBUKYTHKRXGFLHF-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds

About 2,3-dimethylcyclobutane-1-carbonitrile

2,3-dimethylcyclobutane-1-carbonitrile (PubChem CID 123673485) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2,3-dimethylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2,3-dimethylcyclobutane-1-carbonitrile
PubChem CID123673485
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2,3-dimethylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)C1C
InChIInChI=1S/C7H11N/c1-5-3-7(4-8)6(5)2/h5-7H,3H2,1-2H3
InChIKeyBUKYTHKRXGFLHF-UHFFFAOYSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
(5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile
CID 137427555
2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile
CID 141214441
2-methylcyclobutane-1-carbonitrile
CID 105426925
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane
CID 167444944
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
(1R,2S)-4-methylbicyclo[4.1.0]heptane-2-carbonitrile
CID 167531480
cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile
CID 89002737
cis-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 86313713
trans-(1S,2S)-2-(bromomethyl)cyclopropane-1-carbonitrile
CID 124583373
cis-(1R,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 10964419

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclobutane-1-carbonitrile?
The IUPAC name of 2,3-dimethylcyclobutane-1-carbonitrile (CID 123673485) is 2,3-dimethylcyclobutane-1-carbonitrile.
What is the SMILES notation for 2,3-dimethylcyclobutane-1-carbonitrile?
The canonical SMILES for 2,3-dimethylcyclobutane-1-carbonitrile is CC1CC(C#N)C1C.
What is the InChIKey of 2,3-dimethylcyclobutane-1-carbonitrile?
The InChIKey is BUKYTHKRXGFLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-3-7(4-8)6(5)2/h5-7H,3H2,1-2H3.
What are the key properties of 2,3-dimethylcyclobutane-1-carbonitrile?
2,3-dimethylcyclobutane-1-carbonitrile has a molecular weight of 109.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclobutane-1-carbonitrile is sourced from PubChem (CID 123673485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).