1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile

C6H9NO — CID 14319678

IUPAC1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCC1(C)CC1(O)C#N
InChIInChI=1S/C6H9NO/c1-5(2)3-6(5,8)4-7/h8H,3H2,1-2H3
InChIKeyYJYYOWSSGQBGSX-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds

About 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile

1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile (PubChem CID 14319678) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile
PubChem CID14319678
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile
SMILESCC1(C)CC1(O)C#N
InChIInChI=1S/C6H9NO/c1-5(2)3-6(5,8)4-7/h8H,3H2,1-2H3
InChIKeyYJYYOWSSGQBGSX-UHFFFAOYSA-N
XLogP0.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile?
The IUPAC name of 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile (CID 14319678) is 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile is CC1(C)CC1(O)C#N.
What is the InChIKey of 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile?
The InChIKey is YJYYOWSSGQBGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5(2)3-6(5,8)4-7/h8H,3H2,1-2H3.
What are the key properties of 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile?
1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile has a molecular weight of 111.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2-dimethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 14319678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).