(Z)-3-methoxy-N-methylbut-2-en-1-imine

C6H11NO — CID 88915528

IUPAC(Z)-3-methoxy-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C(/C)OC
InChIInChI=1S/C6H11NO/c1-6(8-3)4-5-7-2/h4-5H,1-3H3/b6-4-,7-5+
InChIKeyXHXFVZCTDJQGHD-XGXWUAJZSA-N
MW113.16 g/mol
LogP1.24
Rot. Bonds2

About (Z)-3-methoxy-N-methylbut-2-en-1-imine

(Z)-3-methoxy-N-methylbut-2-en-1-imine (PubChem CID 88915528) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-3-methoxy-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-methoxy-N-methylbut-2-en-1-imine
PubChem CID88915528
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-3-methoxy-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C(/C)OC
InChIInChI=1S/C6H11NO/c1-6(8-3)4-5-7-2/h4-5H,1-3H3/b6-4-,7-5+
InChIKeyXHXFVZCTDJQGHD-XGXWUAJZSA-N
XLogP1.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.24
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'}

Analyze (Z)-3-methoxy-N-methylbut-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-N-methylbut-2-en-1-imine?
The IUPAC name of (Z)-3-methoxy-N-methylbut-2-en-1-imine (CID 88915528) is (Z)-3-methoxy-N-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-3-methoxy-N-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-3-methoxy-N-methylbut-2-en-1-imine is C/N=C/C=C(/C)OC.
What is the InChIKey of (Z)-3-methoxy-N-methylbut-2-en-1-imine?
The InChIKey is XHXFVZCTDJQGHD-XGXWUAJZSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(8-3)4-5-7-2/h4-5H,1-3H3/b6-4-,7-5+.
What are the key properties of (Z)-3-methoxy-N-methylbut-2-en-1-imine?
(Z)-3-methoxy-N-methylbut-2-en-1-imine has a molecular weight of 113.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-N-methylbut-2-en-1-imine is sourced from PubChem (CID 88915528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).