1-(2-methylpropanoyl)cyclopropane-1-carbonitrile

C8H11NO — CID 67478341

IUPAC1-(2-methylpropanoyl)cyclopropane-1-carbonitrile
SMILESCC(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C8H11NO/c1-6(2)7(10)8(5-9)3-4-8/h6H,3-4H2,1-2H3
InChIKeyGKNGCZLJTLWACU-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.52
Rot. Bonds2

About 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile

1-(2-methylpropanoyl)cyclopropane-1-carbonitrile (PubChem CID 67478341) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropanoyl)cyclopropane-1-carbonitrile
PubChem CID67478341
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(2-methylpropanoyl)cyclopropane-1-carbonitrile
SMILESCC(C)C(=O)C1(C#N)CC1
InChIInChI=1S/C8H11NO/c1-6(2)7(10)8(5-9)3-4-8/h6H,3-4H2,1-2H3
InChIKeyGKNGCZLJTLWACU-UHFFFAOYSA-N
XLogP1.52
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile (CID 67478341) is 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile is CC(C)C(=O)C1(C#N)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile?
The InChIKey is GKNGCZLJTLWACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)7(10)8(5-9)3-4-8/h6H,3-4H2,1-2H3.
What are the key properties of 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile?
1-(2-methylpropanoyl)cyclopropane-1-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 67478341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).