2-cyclobutyl-2-methylcyclopropane-1-carbonitrile

C9H13N — CID 116841940

IUPAC2-cyclobutyl-2-methylcyclopropane-1-carbonitrile
SMILESCC1(C2CCC2)CC1C#N
InChIInChI=1S/C9H13N/c1-9(5-8(9)6-10)7-3-2-4-7/h7-8H,2-5H2,1H3
InChIKeyFDDDWNIAHYHMAG-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.34
Rot. Bonds1

About 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile

2-cyclobutyl-2-methylcyclopropane-1-carbonitrile (PubChem CID 116841940) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-cyclobutyl-2-methylcyclopropane-1-carbonitrile
PubChem CID116841940
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-cyclobutyl-2-methylcyclopropane-1-carbonitrile
SMILESCC1(C2CCC2)CC1C#N
InChIInChI=1S/C9H13N/c1-9(5-8(9)6-10)7-3-2-4-7/h7-8H,2-5H2,1H3
InChIKeyFDDDWNIAHYHMAG-UHFFFAOYSA-N
XLogP2.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile?
The IUPAC name of 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile (CID 116841940) is 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile is CC1(C2CCC2)CC1C#N.
What is the InChIKey of 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile?
The InChIKey is FDDDWNIAHYHMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-9(5-8(9)6-10)7-3-2-4-7/h7-8H,2-5H2,1H3.
What are the key properties of 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile?
2-cyclobutyl-2-methylcyclopropane-1-carbonitrile has a molecular weight of 135.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-methylcyclopropane-1-carbonitrile is sourced from PubChem (CID 116841940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).