(E)-5-ethoxypent-3-enenitrile

C7H11NO — CID 19376980

IUPAC(E)-5-ethoxypent-3-enenitrile
SMILESCCOC/C=C/CC#N
InChIInChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8/h3,5H,2,4,7H2,1H3/b5-3+
InChIKeyBEPLJDJWDZBIDU-HWKANZROSA-N
MW125.17 g/mol
LogP1.49
Rot. Bonds4

About (E)-5-ethoxypent-3-enenitrile

(E)-5-ethoxypent-3-enenitrile (PubChem CID 19376980) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-5-ethoxypent-3-enenitrile.

Molecular Properties

Compound Name(E)-5-ethoxypent-3-enenitrile
PubChem CID19376980
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(E)-5-ethoxypent-3-enenitrile
SMILESCCOC/C=C/CC#N
InChIInChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8/h3,5H,2,4,7H2,1H3/b5-3+
InChIKeyBEPLJDJWDZBIDU-HWKANZROSA-N
XLogP1.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-ethoxypent-3-enenitrile?
The IUPAC name of (E)-5-ethoxypent-3-enenitrile (CID 19376980) is (E)-5-ethoxypent-3-enenitrile.
What is the SMILES notation for (E)-5-ethoxypent-3-enenitrile?
The canonical SMILES for (E)-5-ethoxypent-3-enenitrile is CCOC/C=C/CC#N.
What is the InChIKey of (E)-5-ethoxypent-3-enenitrile?
The InChIKey is BEPLJDJWDZBIDU-HWKANZROSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-9-7-5-3-4-6-8/h3,5H,2,4,7H2,1H3/b5-3+.
What are the key properties of (E)-5-ethoxypent-3-enenitrile?
(E)-5-ethoxypent-3-enenitrile has a molecular weight of 125.17 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethoxypent-3-enenitrile is sourced from PubChem (CID 19376980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).