(E,E)-N-ethoxypent-3-en-2-imine

C7H13NO — CID 58591598

IUPAC(E,E)-N-ethoxypent-3-en-2-imine
SMILESC/C=C/C(C)=N/OCC
InChIInChI=1S/C7H13NO/c1-4-6-7(3)8-9-5-2/h4,6H,5H2,1-3H3/b6-4+,8-7+
InChIKeyWSDHEJHIWTYFEY-GFGVWQOPSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds3

About (E,E)-N-ethoxypent-3-en-2-imine

(E,E)-N-ethoxypent-3-en-2-imine (PubChem CID 58591598) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E,E)-N-ethoxypent-3-en-2-imine.

Molecular Properties

Compound Name(E,E)-N-ethoxypent-3-en-2-imine
PubChem CID58591598
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E,E)-N-ethoxypent-3-en-2-imine
SMILESC/C=C/C(C)=N/OCC
InChIInChI=1S/C7H13NO/c1-4-6-7(3)8-9-5-2/h4,6H,5H2,1-3H3/b6-4+,8-7+
InChIKeyWSDHEJHIWTYFEY-GFGVWQOPSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,E)-N-ethoxypent-3-en-2-imine?
The IUPAC name of (E,E)-N-ethoxypent-3-en-2-imine (CID 58591598) is (E,E)-N-ethoxypent-3-en-2-imine.
What is the SMILES notation for (E,E)-N-ethoxypent-3-en-2-imine?
The canonical SMILES for (E,E)-N-ethoxypent-3-en-2-imine is C/C=C/C(C)=N/OCC.
What is the InChIKey of (E,E)-N-ethoxypent-3-en-2-imine?
The InChIKey is WSDHEJHIWTYFEY-GFGVWQOPSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6-7(3)8-9-5-2/h4,6H,5H2,1-3H3/b6-4+,8-7+.
What are the key properties of (E,E)-N-ethoxypent-3-en-2-imine?
(E,E)-N-ethoxypent-3-en-2-imine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-ethoxypent-3-en-2-imine is sourced from PubChem (CID 58591598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).