3-cyclopropylpropanenitrile

C6H9N — CID 12768628

IUPAC3-cyclopropylpropanenitrile
SMILESN#CCCC1CC1
InChIInChI=1S/C6H9N/c7-5-1-2-6-3-4-6/h6H,1-4H2
InChIKeyINDZKZONOLGFIL-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.70
Rot. Bonds2

About 3-cyclopropylpropanenitrile

3-cyclopropylpropanenitrile (PubChem CID 12768628) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 3-cyclopropylpropanenitrile.

Molecular Properties

Compound Name3-cyclopropylpropanenitrile
PubChem CID12768628
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name3-cyclopropylpropanenitrile
SMILESN#CCCC1CC1
InChIInChI=1S/C6H9N/c7-5-1-2-6-3-4-6/h6H,1-4H2
InChIKeyINDZKZONOLGFIL-UHFFFAOYSA-N
XLogP1.70
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpropanenitrile?
The IUPAC name of 3-cyclopropylpropanenitrile (CID 12768628) is 3-cyclopropylpropanenitrile.
What is the SMILES notation for 3-cyclopropylpropanenitrile?
The canonical SMILES for 3-cyclopropylpropanenitrile is N#CCCC1CC1.
What is the InChIKey of 3-cyclopropylpropanenitrile?
The InChIKey is INDZKZONOLGFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c7-5-1-2-6-3-4-6/h6H,1-4H2.
What are the key properties of 3-cyclopropylpropanenitrile?
3-cyclopropylpropanenitrile has a molecular weight of 95.14 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpropanenitrile is sourced from PubChem (CID 12768628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).