2-methylcyclobutane-1-carbonitrile

C6H9N — CID 105426925

IUPAC2-methylcyclobutane-1-carbonitrile
SMILESCC1CCC1C#N
InChIInChI=1S/C6H9N/c1-5-2-3-6(5)4-7/h5-6H,2-3H2,1H3
InChIKeyQKGPPNZASSTOSO-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.56
Rot. Bonds

About 2-methylcyclobutane-1-carbonitrile

2-methylcyclobutane-1-carbonitrile (PubChem CID 105426925) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-methylcyclobutane-1-carbonitrile
PubChem CID105426925
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-methylcyclobutane-1-carbonitrile
SMILESCC1CCC1C#N
InChIInChI=1S/C6H9N/c1-5-2-3-6(5)4-7/h5-6H,2-3H2,1H3
InChIKeyQKGPPNZASSTOSO-UHFFFAOYSA-N
XLogP1.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane
CID 167444944
cis-(1S,2S)-2-methylcyclopropane-1-carbonitrile
CID 58392287
(3S,4R)-3-methyloxane-4-carbonitrile
CID 99718652
cyclohexane-1,2,3,4-tetracarbonitrile
CID 87163155
2,3-dimethylcyclobutane-1-carbonitrile
CID 123673485
(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile
CID 130748404
2-propan-2-ylcyclobutane-1-carbonitrile
CID 122449449
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
cyclopentane-1,2-dicarbonitrile
CID 19807606
2-(dimethylamino)-3-methylcyclobutane-1-carbonitrile
CID 141214441
trans-(1R,2S)-2-[(Z)-prop-1-enyl]cyclobutane-1-carbonitrile
CID 101207318
1,2-dimethylpyrrolidine-3-carbonitrile
CID 76609008

Frequently Asked Questions

What is the IUPAC name of 2-methylcyclobutane-1-carbonitrile?
The IUPAC name of 2-methylcyclobutane-1-carbonitrile (CID 105426925) is 2-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 2-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 2-methylcyclobutane-1-carbonitrile is CC1CCC1C#N.
What is the InChIKey of 2-methylcyclobutane-1-carbonitrile?
The InChIKey is QKGPPNZASSTOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-5-2-3-6(5)4-7/h5-6H,2-3H2,1H3.
What are the key properties of 2-methylcyclobutane-1-carbonitrile?
2-methylcyclobutane-1-carbonitrile has a molecular weight of 95.14 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 105426925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).