2-(2-methylcyclopropyl)propanenitrile

C7H11N — CID 131167766

IUPAC2-(2-methylcyclopropyl)propanenitrile
SMILESCC(C#N)C1CC1C
InChIInChI=1S/C7H11N/c1-5-3-7(5)6(2)4-8/h5-7H,3H2,1-2H3
InChIKeyPAIKXHPIJVBOJN-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About 2-(2-methylcyclopropyl)propanenitrile

2-(2-methylcyclopropyl)propanenitrile (PubChem CID 131167766) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)propanenitrile.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)propanenitrile
PubChem CID131167766
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-(2-methylcyclopropyl)propanenitrile
SMILESCC(C#N)C1CC1C
InChIInChI=1S/C7H11N/c1-5-3-7(5)6(2)4-8/h5-7H,3H2,1-2H3
InChIKeyPAIKXHPIJVBOJN-UHFFFAOYSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)propanenitrile?
The IUPAC name of 2-(2-methylcyclopropyl)propanenitrile (CID 131167766) is 2-(2-methylcyclopropyl)propanenitrile.
What is the SMILES notation for 2-(2-methylcyclopropyl)propanenitrile?
The canonical SMILES for 2-(2-methylcyclopropyl)propanenitrile is CC(C#N)C1CC1C.
What is the InChIKey of 2-(2-methylcyclopropyl)propanenitrile?
The InChIKey is PAIKXHPIJVBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-3-7(5)6(2)4-8/h5-7H,3H2,1-2H3.
What are the key properties of 2-(2-methylcyclopropyl)propanenitrile?
2-(2-methylcyclopropyl)propanenitrile has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)propanenitrile is sourced from PubChem (CID 131167766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).