2-cyclopropyl-2-hydroxypropanenitrile

C6H9NO — CID 43436603

IUPAC2-cyclopropyl-2-hydroxypropanenitrile
SMILESCC(O)(C#N)C1CC1
InChIInChI=1S/C6H9NO/c1-6(8,4-7)5-2-3-5/h5,8H,2-3H2,1H3
InChIKeyQZSDRCNPRWAUTO-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds1

About 2-cyclopropyl-2-hydroxypropanenitrile

2-cyclopropyl-2-hydroxypropanenitrile (PubChem CID 43436603) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxypropanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxypropanenitrile
PubChem CID43436603
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-cyclopropyl-2-hydroxypropanenitrile
SMILESCC(O)(C#N)C1CC1
InChIInChI=1S/C6H9NO/c1-6(8,4-7)5-2-3-5/h5,8H,2-3H2,1H3
InChIKeyQZSDRCNPRWAUTO-UHFFFAOYSA-N
XLogP0.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-cyclopropyl-2-hydroxypropanenitrile?
The IUPAC name of 2-cyclopropyl-2-hydroxypropanenitrile (CID 43436603) is 2-cyclopropyl-2-hydroxypropanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-hydroxypropanenitrile?
The canonical SMILES for 2-cyclopropyl-2-hydroxypropanenitrile is CC(O)(C#N)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxypropanenitrile?
The InChIKey is QZSDRCNPRWAUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-6(8,4-7)5-2-3-5/h5,8H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-2-hydroxypropanenitrile?
2-cyclopropyl-2-hydroxypropanenitrile has a molecular weight of 111.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxypropanenitrile is sourced from PubChem (CID 43436603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).