methyl N-prop-1-en-2-ylprop-2-enimidate

C7H11NO — CID 143198222

IUPACmethyl N-prop-1-en-2-ylprop-2-enimidate
SMILESC=C/C(=N\C(=C)C)OC
InChIInChI=1S/C7H11NO/c1-5-7(9-4)8-6(2)3/h5H,1-2H2,3-4H3/b8-7+
InChIKeyWWLHUTSOOMFOJN-BQYQJAHWSA-N
MW125.17 g/mol
LogP1.75
Rot. Bonds2

About methyl N-prop-1-en-2-ylprop-2-enimidate

methyl N-prop-1-en-2-ylprop-2-enimidate (PubChem CID 143198222) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is methyl N-prop-1-en-2-ylprop-2-enimidate.

Molecular Properties

Compound Namemethyl N-prop-1-en-2-ylprop-2-enimidate
PubChem CID143198222
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Namemethyl N-prop-1-en-2-ylprop-2-enimidate
SMILESC=C/C(=N\C(=C)C)OC
InChIInChI=1S/C7H11NO/c1-5-7(9-4)8-6(2)3/h5H,1-2H2,3-4H3/b8-7+
InChIKeyWWLHUTSOOMFOJN-BQYQJAHWSA-N
XLogP1.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-prop-1-en-2-ylprop-2-enimidate?
The IUPAC name of methyl N-prop-1-en-2-ylprop-2-enimidate (CID 143198222) is methyl N-prop-1-en-2-ylprop-2-enimidate.
What is the SMILES notation for methyl N-prop-1-en-2-ylprop-2-enimidate?
The canonical SMILES for methyl N-prop-1-en-2-ylprop-2-enimidate is C=C/C(=N\C(=C)C)OC.
What is the InChIKey of methyl N-prop-1-en-2-ylprop-2-enimidate?
The InChIKey is WWLHUTSOOMFOJN-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-7(9-4)8-6(2)3/h5H,1-2H2,3-4H3/b8-7+.
What are the key properties of methyl N-prop-1-en-2-ylprop-2-enimidate?
methyl N-prop-1-en-2-ylprop-2-enimidate has a molecular weight of 125.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-prop-1-en-2-ylprop-2-enimidate is sourced from PubChem (CID 143198222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).