ethyl N-ethenylprop-2-enimidate

C7H11NO — CID 143813400

IUPACethyl N-ethenylprop-2-enimidate
SMILESC=C/N=C(\C=C)OCC
InChIInChI=1S/C7H11NO/c1-4-7(8-5-2)9-6-3/h4-5H,1-2,6H2,3H3/b8-7+
InChIKeyIFEFENKHKGNCEO-BQYQJAHWSA-N
MW125.17 g/mol
LogP1.75
Rot. Bonds3

About ethyl N-ethenylprop-2-enimidate

ethyl N-ethenylprop-2-enimidate (PubChem CID 143813400) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is ethyl N-ethenylprop-2-enimidate.

Molecular Properties

Compound Nameethyl N-ethenylprop-2-enimidate
PubChem CID143813400
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Nameethyl N-ethenylprop-2-enimidate
SMILESC=C/N=C(\C=C)OCC
InChIInChI=1S/C7H11NO/c1-4-7(8-5-2)9-6-3/h4-5H,1-2,6H2,3H3/b8-7+
InChIKeyIFEFENKHKGNCEO-BQYQJAHWSA-N
XLogP1.75
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 ≤ 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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Related Compounds

N'-ethenyl-2-methylbutanimidamide
CID 155258668
ethenamine;ethyl prop-2-enoate
CID 22022699
ethane;N-ethenylpent-1-en-3-imine
CID 143591103
ethyl prop-2-enoate;sulfane
CID 157093783
1,1-diethoxy-2-methylbuta-1,3-diene
CID 19609192
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
3-ethenylimino-1-ethoxypent-4-en-2-one
CID 156744879
ethyl (1Z)-N-(2,4,6-trimethylphenyl)sulfonyloxyprop-2-enimidate
CID 137406027
ethyl (2E)-2-hydroxyiminobut-3-enoate
CID 138059477
ethyl (2E)-4-ethenylimino-5-methoxyhexa-2,5-dienoate
CID 177208706
ethene;ethyl prop-2-enoate;urea
CID 22098038

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethenylprop-2-enimidate?
The IUPAC name of ethyl N-ethenylprop-2-enimidate (CID 143813400) is ethyl N-ethenylprop-2-enimidate.
What is the SMILES notation for ethyl N-ethenylprop-2-enimidate?
The canonical SMILES for ethyl N-ethenylprop-2-enimidate is C=C/N=C(\C=C)OCC.
What is the InChIKey of ethyl N-ethenylprop-2-enimidate?
The InChIKey is IFEFENKHKGNCEO-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-7(8-5-2)9-6-3/h4-5H,1-2,6H2,3H3/b8-7+.
What are the key properties of ethyl N-ethenylprop-2-enimidate?
ethyl N-ethenylprop-2-enimidate has a molecular weight of 125.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenylprop-2-enimidate is sourced from PubChem (CID 143813400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).