(E)-2-ethenyl-5-hydroxypent-2-enenitrile

C7H9NO — CID 10887895

IUPAC(E)-2-ethenyl-5-hydroxypent-2-enenitrile
SMILESC=C/C(C#N)=C\CCO
InChIInChI=1S/C7H9NO/c1-2-7(6-8)4-3-5-9/h2,4,9H,1,3,5H2/b7-4+
InChIKeyVQMCJQMTOPSZNX-QPJJXVBHSA-N
MW123.15 g/mol
LogP1.00
Rot. Bonds3

About (E)-2-ethenyl-5-hydroxypent-2-enenitrile

(E)-2-ethenyl-5-hydroxypent-2-enenitrile (PubChem CID 10887895) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (E)-2-ethenyl-5-hydroxypent-2-enenitrile.

Molecular Properties

Compound Name(E)-2-ethenyl-5-hydroxypent-2-enenitrile
PubChem CID10887895
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(E)-2-ethenyl-5-hydroxypent-2-enenitrile
SMILESC=C/C(C#N)=C\CCO
InChIInChI=1S/C7H9NO/c1-2-7(6-8)4-3-5-9/h2,4,9H,1,3,5H2/b7-4+
InChIKeyVQMCJQMTOPSZNX-QPJJXVBHSA-N
XLogP1.00
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-5-hydroxypent-2-enenitrile?
The IUPAC name of (E)-2-ethenyl-5-hydroxypent-2-enenitrile (CID 10887895) is (E)-2-ethenyl-5-hydroxypent-2-enenitrile.
What is the SMILES notation for (E)-2-ethenyl-5-hydroxypent-2-enenitrile?
The canonical SMILES for (E)-2-ethenyl-5-hydroxypent-2-enenitrile is C=C/C(C#N)=C\CCO.
What is the InChIKey of (E)-2-ethenyl-5-hydroxypent-2-enenitrile?
The InChIKey is VQMCJQMTOPSZNX-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-7(6-8)4-3-5-9/h2,4,9H,1,3,5H2/b7-4+.
What are the key properties of (E)-2-ethenyl-5-hydroxypent-2-enenitrile?
(E)-2-ethenyl-5-hydroxypent-2-enenitrile has a molecular weight of 123.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-5-hydroxypent-2-enenitrile is sourced from PubChem (CID 10887895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).