(Z)-N-ethenyl-1-methoxypent-3-en-2-imine

C8H13NO — CID 142059125

IUPAC(Z)-N-ethenyl-1-methoxypent-3-en-2-imine
SMILESC=C/N=C(/C=C\C)COC
InChIInChI=1S/C8H13NO/c1-4-6-8(7-10-3)9-5-2/h4-6H,2,7H2,1,3H3/b6-4-,9-8-
InChIKeyBLWJQONOQFAHPT-KDAARUEYSA-N
MW139.20 g/mol
LogP1.79
Rot. Bonds4

About (Z)-N-ethenyl-1-methoxypent-3-en-2-imine

(Z)-N-ethenyl-1-methoxypent-3-en-2-imine (PubChem CID 142059125) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-methoxypent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-methoxypent-3-en-2-imine
PubChem CID142059125
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z)-N-ethenyl-1-methoxypent-3-en-2-imine
SMILESC=C/N=C(/C=C\C)COC
InChIInChI=1S/C8H13NO/c1-4-6-8(7-10-3)9-5-2/h4-6H,2,7H2,1,3H3/b6-4-,9-8-
InChIKeyBLWJQONOQFAHPT-KDAARUEYSA-N
XLogP1.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-1-methoxypent-3-en-2-imine?
The IUPAC name of (Z)-N-ethenyl-1-methoxypent-3-en-2-imine (CID 142059125) is (Z)-N-ethenyl-1-methoxypent-3-en-2-imine.
What is the SMILES notation for (Z)-N-ethenyl-1-methoxypent-3-en-2-imine?
The canonical SMILES for (Z)-N-ethenyl-1-methoxypent-3-en-2-imine is C=C/N=C(/C=C\C)COC.
What is the InChIKey of (Z)-N-ethenyl-1-methoxypent-3-en-2-imine?
The InChIKey is BLWJQONOQFAHPT-KDAARUEYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-8(7-10-3)9-5-2/h4-6H,2,7H2,1,3H3/b6-4-,9-8-.
What are the key properties of (Z)-N-ethenyl-1-methoxypent-3-en-2-imine?
(Z)-N-ethenyl-1-methoxypent-3-en-2-imine has a molecular weight of 139.20 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-methoxypent-3-en-2-imine is sourced from PubChem (CID 142059125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).