(E)-5-methoxypent-3-enenitrile

C6H9NO — CID 19376975

IUPAC(E)-5-methoxypent-3-enenitrile
SMILESCOC/C=C/CC#N
InChIInChI=1S/C6H9NO/c1-8-6-4-2-3-5-7/h2,4H,3,6H2,1H3/b4-2+
InChIKeyDIOOXTCKSZLOMQ-DUXPYHPUSA-N
MW111.14 g/mol
LogP1.10
Rot. Bonds3

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

(E)-5-methoxypent-3-enenitrile (PubChem CID 19376975) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (E)-5-methoxypent-3-enenitrile.

Molecular Properties

Compound Name(E)-5-methoxypent-3-enenitrile
PubChem CID19376975
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(E)-5-methoxypent-3-enenitrile
SMILESCOC/C=C/CC#N
InChIInChI=1S/C6H9NO/c1-8-6-4-2-3-5-7/h2,4H,3,6H2,1H3/b4-2+
InChIKeyDIOOXTCKSZLOMQ-DUXPYHPUSA-N
XLogP1.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxypent-3-enenitrile?
The IUPAC name of (E)-5-methoxypent-3-enenitrile (CID 19376975) is (E)-5-methoxypent-3-enenitrile.
What is the SMILES notation for (E)-5-methoxypent-3-enenitrile?
The canonical SMILES for (E)-5-methoxypent-3-enenitrile is COC/C=C/CC#N.
What is the InChIKey of (E)-5-methoxypent-3-enenitrile?
The InChIKey is DIOOXTCKSZLOMQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-6-4-2-3-5-7/h2,4H,3,6H2,1H3/b4-2+.
What are the key properties of (E)-5-methoxypent-3-enenitrile?
(E)-5-methoxypent-3-enenitrile has a molecular weight of 111.14 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxypent-3-enenitrile is sourced from PubChem (CID 19376975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).