2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile

C11H16N2 — CID 159746869

IUPAC2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile
SMILESCC(C#N)C1CC1.N#CCC1CC1
InChIInChI=1S/C6H9N.C5H7N/c1-5(4-7)6-2-3-6;6-4-3-5-1-2-5/h5-6H,2-3H2,1H3;5H,1-3H2
InChIKeyNDDLUHDCQALNFT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.87
Rot. Bonds2

About 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile

2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile (PubChem CID 159746869) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile.

Molecular Properties

Compound Name2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile
PubChem CID159746869
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile
SMILESCC(C#N)C1CC1.N#CCC1CC1
InChIInChI=1S/C6H9N.C5H7N/c1-5(4-7)6-2-3-6;6-4-3-5-1-2-5/h5-6H,2-3H2,1H3;5H,1-3H2
InChIKeyNDDLUHDCQALNFT-UHFFFAOYSA-N
XLogP2.87
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile?
The IUPAC name of 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile (CID 159746869) is 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile.
What is the SMILES notation for 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile?
The canonical SMILES for 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile is CC(C#N)C1CC1.N#CCC1CC1.
What is the InChIKey of 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile?
The InChIKey is NDDLUHDCQALNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C5H7N/c1-5(4-7)6-2-3-6;6-4-3-5-1-2-5/h5-6H,2-3H2,1H3;5H,1-3H2.
What are the key properties of 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile?
2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile has a molecular weight of 176.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylacetonitrile;2-cyclopropylpropanenitrile is sourced from PubChem (CID 159746869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).