(E)-2-ethenyl-3-hydroxyhex-4-enenitrile

C8H11NO — CID 10558677

IUPAC(E)-2-ethenyl-3-hydroxyhex-4-enenitrile
SMILESC=CC(C#N)C(O)/C=C/C
InChIInChI=1S/C8H11NO/c1-3-5-8(10)7(4-2)6-9/h3-5,7-8,10H,2H2,1H3/b5-3+
InChIKeyRPZLHZHLBWLXTC-HWKANZROSA-N
MW137.18 g/mol
LogP1.25
Rot. Bonds3

About (E)-2-ethenyl-3-hydroxyhex-4-enenitrile

(E)-2-ethenyl-3-hydroxyhex-4-enenitrile (PubChem CID 10558677) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (E)-2-ethenyl-3-hydroxyhex-4-enenitrile.

Molecular Properties

Compound Name(E)-2-ethenyl-3-hydroxyhex-4-enenitrile
PubChem CID10558677
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(E)-2-ethenyl-3-hydroxyhex-4-enenitrile
SMILESC=CC(C#N)C(O)/C=C/C
InChIInChI=1S/C8H11NO/c1-3-5-8(10)7(4-2)6-9/h3-5,7-8,10H,2H2,1H3/b5-3+
InChIKeyRPZLHZHLBWLXTC-HWKANZROSA-N
XLogP1.25
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.25
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

(2S,3E)-2-hydroxyhept-3-enenitrile
CID 55265295
2-[(1Z,5Z,8E)-9-fluoro-4,7-dimethylcyclonona-1,5,8-trien-1-yl]-2-hydroxyacetonitrile
CID 141897139
(3S,4S,5E)-3-methylhepta-1,5-dien-4-ol
CID 12703988
(E)-2-hydroxy-3-methylhex-3-enenitrile
CID 135038964
(E,2R)-2-hydroxy-3-methylhex-3-enenitrile
CID 135081124
(E)-3-hydroxy-2-methylidenehex-4-enenitrile
CID 10080399
(4E,6E)-2-ethenyl-3-hydroxyocta-4,6-dienenitrile
CID 10487217
(Z)-2-ethyl-4-hydroxyhex-2-enenitrile
CID 12848402
(E)-2-hydroxy-3-methylpent-3-enenitrile
CID 14932198
(E)-3-hydroxy-2,2-dimethylhex-4-enenitrile
CID 15070279
2-(1-Hydroxyethyl)pent-3-enenitrile
CID 53838083
3-Hydroxyhex-4-enenitrile
CID 57118826

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-3-hydroxyhex-4-enenitrile?
The IUPAC name of (E)-2-ethenyl-3-hydroxyhex-4-enenitrile (CID 10558677) is (E)-2-ethenyl-3-hydroxyhex-4-enenitrile.
What is the SMILES notation for (E)-2-ethenyl-3-hydroxyhex-4-enenitrile?
The canonical SMILES for (E)-2-ethenyl-3-hydroxyhex-4-enenitrile is C=CC(C#N)C(O)/C=C/C.
What is the InChIKey of (E)-2-ethenyl-3-hydroxyhex-4-enenitrile?
The InChIKey is RPZLHZHLBWLXTC-HWKANZROSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-5-8(10)7(4-2)6-9/h3-5,7-8,10H,2H2,1H3/b5-3+.
What are the key properties of (E)-2-ethenyl-3-hydroxyhex-4-enenitrile?
(E)-2-ethenyl-3-hydroxyhex-4-enenitrile has a molecular weight of 137.18 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-3-hydroxyhex-4-enenitrile is sourced from PubChem (CID 10558677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).