(Z)-3-ethenoxy-N-methylprop-2-en-1-imine

C6H9NO — CID 90066560

IUPAC(Z)-3-ethenoxy-N-methylprop-2-en-1-imine
SMILESC=CO/C=C\C=N\C
InChIInChI=1S/C6H9NO/c1-3-8-6-4-5-7-2/h3-6H,1H2,2H3/b6-4-,7-5+
InChIKeyMRHBXSKWWCOTPQ-XGXWUAJZSA-N
MW111.14 g/mol
LogP1.36
Rot. Bonds3

About (Z)-3-ethenoxy-N-methylprop-2-en-1-imine

(Z)-3-ethenoxy-N-methylprop-2-en-1-imine (PubChem CID 90066560) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (Z)-3-ethenoxy-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-ethenoxy-N-methylprop-2-en-1-imine
PubChem CID90066560
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(Z)-3-ethenoxy-N-methylprop-2-en-1-imine
SMILESC=CO/C=C\C=N\C
InChIInChI=1S/C6H9NO/c1-3-8-6-4-5-7-2/h3-6H,1H2,2H3/b6-4-,7-5+
InChIKeyMRHBXSKWWCOTPQ-XGXWUAJZSA-N
XLogP1.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.36
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)-3-ethenoxy-N-methylprop-2-en-1-imine?
The IUPAC name of (Z)-3-ethenoxy-N-methylprop-2-en-1-imine (CID 90066560) is (Z)-3-ethenoxy-N-methylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-ethenoxy-N-methylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-ethenoxy-N-methylprop-2-en-1-imine is C=CO/C=C\C=N\C.
What is the InChIKey of (Z)-3-ethenoxy-N-methylprop-2-en-1-imine?
The InChIKey is MRHBXSKWWCOTPQ-XGXWUAJZSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-8-6-4-5-7-2/h3-6H,1H2,2H3/b6-4-,7-5+.
What are the key properties of (Z)-3-ethenoxy-N-methylprop-2-en-1-imine?
(Z)-3-ethenoxy-N-methylprop-2-en-1-imine has a molecular weight of 111.14 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenoxy-N-methylprop-2-en-1-imine is sourced from PubChem (CID 90066560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).