2-cyclobutyl-3-hydroxypropanenitrile

C7H11NO — CID 130825649

IUPAC2-cyclobutyl-3-hydroxypropanenitrile
SMILESN#CC(CO)C1CCC1
InChIInChI=1S/C7H11NO/c8-4-7(5-9)6-2-1-3-6/h6-7,9H,1-3,5H2
InChIKeyGQNBZGYFUOUNCV-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.92
Rot. Bonds2

About 2-cyclobutyl-3-hydroxypropanenitrile

2-cyclobutyl-3-hydroxypropanenitrile (PubChem CID 130825649) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-cyclobutyl-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2-cyclobutyl-3-hydroxypropanenitrile
PubChem CID130825649
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-cyclobutyl-3-hydroxypropanenitrile
SMILESN#CC(CO)C1CCC1
InChIInChI=1S/C7H11NO/c8-4-7(5-9)6-2-1-3-6/h6-7,9H,1-3,5H2
InChIKeyGQNBZGYFUOUNCV-UHFFFAOYSA-N
XLogP0.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclobutyl-2-hydroxyacetonitrile
CID 130129350
2-cyclohexylpentanenitrile
CID 20506214
2-cyclobutyl-3-(4-hydroxy-1,2-oxazolidin-2-yl)propanenitrile
CID 130825791
2-cyclobutyl-3-(1,2-oxazolidin-2-yl)propanenitrile
CID 130941276
2-cyclohexylpropanedinitrile
CID 11171058
3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile
CID 130944153
2-(cyclopentylamino)-3-hydroxypropanenitrile
CID 104711189
2-cyclohexylpropanedinitrile;methane
CID 142914800
(2R)-2-cyclobutyl-2-fluoroethanol
CID 129462304
(2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile
CID 100977712
(2R)-2-aminooxy-2-cyclopentylethanol
CID 125041563
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-hydroxypropanenitrile?
The IUPAC name of 2-cyclobutyl-3-hydroxypropanenitrile (CID 130825649) is 2-cyclobutyl-3-hydroxypropanenitrile.
What is the SMILES notation for 2-cyclobutyl-3-hydroxypropanenitrile?
The canonical SMILES for 2-cyclobutyl-3-hydroxypropanenitrile is N#CC(CO)C1CCC1.
What is the InChIKey of 2-cyclobutyl-3-hydroxypropanenitrile?
The InChIKey is GQNBZGYFUOUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-4-7(5-9)6-2-1-3-6/h6-7,9H,1-3,5H2.
What are the key properties of 2-cyclobutyl-3-hydroxypropanenitrile?
2-cyclobutyl-3-hydroxypropanenitrile has a molecular weight of 125.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-hydroxypropanenitrile is sourced from PubChem (CID 130825649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).