(E)-N-benzyl-4-methoxypent-3-en-2-imine

C13H17NO — CID 143925175

IUPAC(E)-N-benzyl-4-methoxypent-3-en-2-imine
SMILESCO/C(C)=C/C(C)=N/Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(9-12(2)15-3)14-10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3/b12-9+,14-11+
InChIKeyRZAWJWOLCLBQRP-JZAGDRGGSA-N
MW203.28 g/mol
LogP3.20
Rot. Bonds4

About (E)-N-benzyl-4-methoxypent-3-en-2-imine

(E)-N-benzyl-4-methoxypent-3-en-2-imine (PubChem CID 143925175) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-N-benzyl-4-methoxypent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-benzyl-4-methoxypent-3-en-2-imine
PubChem CID143925175
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-N-benzyl-4-methoxypent-3-en-2-imine
SMILESCO/C(C)=C/C(C)=N/Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-11(9-12(2)15-3)14-10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3/b12-9+,14-11+
InChIKeyRZAWJWOLCLBQRP-JZAGDRGGSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-4-methoxypent-3-en-2-imine?
The IUPAC name of (E)-N-benzyl-4-methoxypent-3-en-2-imine (CID 143925175) is (E)-N-benzyl-4-methoxypent-3-en-2-imine.
What is the SMILES notation for (E)-N-benzyl-4-methoxypent-3-en-2-imine?
The canonical SMILES for (E)-N-benzyl-4-methoxypent-3-en-2-imine is CO/C(C)=C/C(C)=N/Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-4-methoxypent-3-en-2-imine?
The InChIKey is RZAWJWOLCLBQRP-JZAGDRGGSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(9-12(2)15-3)14-10-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3/b12-9+,14-11+.
What are the key properties of (E)-N-benzyl-4-methoxypent-3-en-2-imine?
(E)-N-benzyl-4-methoxypent-3-en-2-imine has a molecular weight of 203.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-methoxypent-3-en-2-imine is sourced from PubChem (CID 143925175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).