(Z)-4-methoxy-N-methylpent-3-en-2-imine

C7H13NO — CID 59782201

IUPAC(Z)-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(C)/C=C(/C)OC
InChIInChI=1S/C7H13NO/c1-6(8-3)5-7(2)9-4/h5H,1-4H3/b7-5-,8-6+
InChIKeyJZDYCLLZZGVYEG-CGXWXWIYSA-N
MW127.19 g/mol
LogP1.63
Rot. Bonds2

About (Z)-4-methoxy-N-methylpent-3-en-2-imine

(Z)-4-methoxy-N-methylpent-3-en-2-imine (PubChem CID 59782201) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-4-methoxy-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-methoxy-N-methylpent-3-en-2-imine
PubChem CID59782201
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(C)/C=C(/C)OC
InChIInChI=1S/C7H13NO/c1-6(8-3)5-7(2)9-4/h5H,1-4H3/b7-5-,8-6+
InChIKeyJZDYCLLZZGVYEG-CGXWXWIYSA-N
XLogP1.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.63
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 (Z)-4-methoxy-N-methylpent-3-en-2-imine?
The IUPAC name of (Z)-4-methoxy-N-methylpent-3-en-2-imine (CID 59782201) is (Z)-4-methoxy-N-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-methoxy-N-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-methoxy-N-methylpent-3-en-2-imine is C/N=C(C)/C=C(/C)OC.
What is the InChIKey of (Z)-4-methoxy-N-methylpent-3-en-2-imine?
The InChIKey is JZDYCLLZZGVYEG-CGXWXWIYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(8-3)5-7(2)9-4/h5H,1-4H3/b7-5-,8-6+.
What are the key properties of (Z)-4-methoxy-N-methylpent-3-en-2-imine?
(Z)-4-methoxy-N-methylpent-3-en-2-imine has a molecular weight of 127.19 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-N-methylpent-3-en-2-imine is sourced from PubChem (CID 59782201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).