3-hydroxy-2-(2-hydroxyethyl)pentanenitrile

C7H13NO2 — CID 54373912

IUPAC3-hydroxy-2-(2-hydroxyethyl)pentanenitrile
SMILESCCC(O)C(C#N)CCO
InChIInChI=1S/C7H13NO2/c1-2-7(10)6(5-8)3-4-9/h6-7,9-10H,2-4H2,1H3
InChIKeyQOXOISARVNYGLV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.28
Rot. Bonds4

About 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile

3-hydroxy-2-(2-hydroxyethyl)pentanenitrile (PubChem CID 54373912) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-(2-hydroxyethyl)pentanenitrile
PubChem CID54373912
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-hydroxy-2-(2-hydroxyethyl)pentanenitrile
SMILESCCC(O)C(C#N)CCO
InChIInChI=1S/C7H13NO2/c1-2-7(10)6(5-8)3-4-9/h6-7,9-10H,2-4H2,1H3
InChIKeyQOXOISARVNYGLV-UHFFFAOYSA-N
XLogP0.28
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-2-propylhexanenitrile
CID 176920962
2-ethyl-3-hydroxyhexanenitrile
CID 79132579
2-ethyl-3-hydroxyheptanenitrile
CID 79131820
(3R)-3-hydroxy-2-methylpentanenitrile
CID 141061922
3,5-dihydroxy-2-methylpentanenitrile;ethane
CID 142227151
acetonitrile;3-methylbutan-1-ol;hydrate
CID 87881666
acetonitrile;3-methylbutan-1-ol
CID 161349190
4-ethylhexane-1,3-diol
CID 57229845
2,4-diethyl-3-hydroxyhexanenitrile
CID 79136880
2-(1-hydroxybutyl)-10-methylundecanenitrile
CID 175333216
2-ethyl-3-hydroxy-4-methylhexanenitrile
CID 79137275
2-ethyl-3-hydroxy-4,4-dimethylpentanenitrile
CID 79132496

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile?
The IUPAC name of 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile (CID 54373912) is 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile.
What is the SMILES notation for 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile?
The canonical SMILES for 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile is CCC(O)C(C#N)CCO.
What is the InChIKey of 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile?
The InChIKey is QOXOISARVNYGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-7(10)6(5-8)3-4-9/h6-7,9-10H,2-4H2,1H3.
What are the key properties of 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile?
3-hydroxy-2-(2-hydroxyethyl)pentanenitrile has a molecular weight of 143.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-hydroxyethyl)pentanenitrile is sourced from PubChem (CID 54373912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).