(E)-5-hydroxy-2-methylpent-3-enenitrile

C6H9NO — CID 15312588

IUPAC(E)-5-hydroxy-2-methylpent-3-enenitrile
SMILESCC(C#N)/C=C/CO
InChIInChI=1S/C6H9NO/c1-6(5-7)3-2-4-8/h2-3,6,8H,4H2,1H3/b3-2+
InChIKeyFNSHERHSAXFLAB-NSCUHMNNSA-N
MW111.14 g/mol
LogP0.69
Rot. Bonds2

About (E)-5-hydroxy-2-methylpent-3-enenitrile

(E)-5-hydroxy-2-methylpent-3-enenitrile (PubChem CID 15312588) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (E)-5-hydroxy-2-methylpent-3-enenitrile.

Molecular Properties

Compound Name(E)-5-hydroxy-2-methylpent-3-enenitrile
PubChem CID15312588
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(E)-5-hydroxy-2-methylpent-3-enenitrile
SMILESCC(C#N)/C=C/CO
InChIInChI=1S/C6H9NO/c1-6(5-7)3-2-4-8/h2-3,6,8H,4H2,1H3/b3-2+
InChIKeyFNSHERHSAXFLAB-NSCUHMNNSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R,E)-2-Hydroxy-3-pentenenitrile
CID 11137099
(2S,3E)-2-hydroxypent-3-enenitrile
CID 10909491
(2S,3E)-2-hydroxyhept-3-enenitrile
CID 55265295
CID 245627
CID 245627
2-Hydroxypent-3-enenitrile
CID 5949985
(E)-5-hydroxypent-3-enenitrile
CID 15256586
(r)-2-Hydroxy-3-pentenenitrile
CID 53648315
5-Hydroxypent-3-enenitrile
CID 10909494
(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile
CID 11007888
2-Hydroxy-4-methylpent-3-enenitrile
CID 14932200
(2Z,4E)-6-hydroxy-3-methylhexa-2,4-dienenitrile
CID 138971116
(E)-2-(hydroxymethyl)pent-2-enenitrile
CID 10877073

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2-methylpent-3-enenitrile?
The IUPAC name of (E)-5-hydroxy-2-methylpent-3-enenitrile (CID 15312588) is (E)-5-hydroxy-2-methylpent-3-enenitrile.
What is the SMILES notation for (E)-5-hydroxy-2-methylpent-3-enenitrile?
The canonical SMILES for (E)-5-hydroxy-2-methylpent-3-enenitrile is CC(C#N)/C=C/CO.
What is the InChIKey of (E)-5-hydroxy-2-methylpent-3-enenitrile?
The InChIKey is FNSHERHSAXFLAB-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9NO/c1-6(5-7)3-2-4-8/h2-3,6,8H,4H2,1H3/b3-2+.
What are the key properties of (E)-5-hydroxy-2-methylpent-3-enenitrile?
(E)-5-hydroxy-2-methylpent-3-enenitrile has a molecular weight of 111.14 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2-methylpent-3-enenitrile is sourced from PubChem (CID 15312588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).