ethenyl N-(2-methylprop-1-enyl)methanimidate

C7H11NO — CID 163813322

IUPACethenyl N-(2-methylprop-1-enyl)methanimidate
SMILESC=CO/C=N/C=C(C)C
InChIInChI=1S/C7H11NO/c1-4-9-6-8-5-7(2)3/h4-6H,1H2,2-3H3/b8-6+
InChIKeyNPEHNHSPPNLISM-SOFGYWHQSA-N
MW125.17 g/mol
LogP2.10
Rot. Bonds3

About ethenyl N-(2-methylprop-1-enyl)methanimidate

ethenyl N-(2-methylprop-1-enyl)methanimidate (PubChem CID 163813322) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is ethenyl N-(2-methylprop-1-enyl)methanimidate.

Molecular Properties

Compound Nameethenyl N-(2-methylprop-1-enyl)methanimidate
PubChem CID163813322
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Nameethenyl N-(2-methylprop-1-enyl)methanimidate
SMILESC=CO/C=N/C=C(C)C
InChIInChI=1S/C7H11NO/c1-4-9-6-8-5-7(2)3/h4-6H,1H2,2-3H3/b8-6+
InChIKeyNPEHNHSPPNLISM-SOFGYWHQSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.10
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl N-(2-methylprop-1-enyl)methanimidate?
The IUPAC name of ethenyl N-(2-methylprop-1-enyl)methanimidate (CID 163813322) is ethenyl N-(2-methylprop-1-enyl)methanimidate.
What is the SMILES notation for ethenyl N-(2-methylprop-1-enyl)methanimidate?
The canonical SMILES for ethenyl N-(2-methylprop-1-enyl)methanimidate is C=CO/C=N/C=C(C)C.
What is the InChIKey of ethenyl N-(2-methylprop-1-enyl)methanimidate?
The InChIKey is NPEHNHSPPNLISM-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-9-6-8-5-7(2)3/h4-6H,1H2,2-3H3/b8-6+.
What are the key properties of ethenyl N-(2-methylprop-1-enyl)methanimidate?
ethenyl N-(2-methylprop-1-enyl)methanimidate has a molecular weight of 125.17 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-(2-methylprop-1-enyl)methanimidate is sourced from PubChem (CID 163813322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).