3-cyclopropyl-2-hydroxypropanenitrile

C6H9NO — CID 18961909

IUPAC3-cyclopropyl-2-hydroxypropanenitrile
SMILESN#CC(O)CC1CC1
InChIInChI=1S/C6H9NO/c7-4-6(8)3-5-1-2-5/h5-6,8H,1-3H2
InChIKeyYECZNJXXRFOIRE-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds2

About 3-cyclopropyl-2-hydroxypropanenitrile

3-cyclopropyl-2-hydroxypropanenitrile (PubChem CID 18961909) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-cyclopropyl-2-hydroxypropanenitrile.

Molecular Properties

Compound Name3-cyclopropyl-2-hydroxypropanenitrile
PubChem CID18961909
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-cyclopropyl-2-hydroxypropanenitrile
SMILESN#CC(O)CC1CC1
InChIInChI=1S/C6H9NO/c7-4-6(8)3-5-1-2-5/h5-6,8H,1-3H2
InChIKeyYECZNJXXRFOIRE-UHFFFAOYSA-N
XLogP0.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-hydroxypropanenitrile?
The IUPAC name of 3-cyclopropyl-2-hydroxypropanenitrile (CID 18961909) is 3-cyclopropyl-2-hydroxypropanenitrile.
What is the SMILES notation for 3-cyclopropyl-2-hydroxypropanenitrile?
The canonical SMILES for 3-cyclopropyl-2-hydroxypropanenitrile is N#CC(O)CC1CC1.
What is the InChIKey of 3-cyclopropyl-2-hydroxypropanenitrile?
The InChIKey is YECZNJXXRFOIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-4-6(8)3-5-1-2-5/h5-6,8H,1-3H2.
What are the key properties of 3-cyclopropyl-2-hydroxypropanenitrile?
3-cyclopropyl-2-hydroxypropanenitrile has a molecular weight of 111.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-hydroxypropanenitrile is sourced from PubChem (CID 18961909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).