methyl (Z)-N-ethylbut-2-enimidate

C7H13NO — CID 177000194

IUPACmethyl (Z)-N-ethylbut-2-enimidate
SMILESC/C=C\C(=N\CC)OC
InChIInChI=1S/C7H13NO/c1-4-6-7(9-3)8-5-2/h4,6H,5H2,1-3H3/b6-4-,8-7-
InChIKeyGKTJEPXZQDFEIN-MOIRPGTBSA-N
MW127.19 g/mol
LogP1.63
Rot. Bonds2

About methyl (Z)-N-ethylbut-2-enimidate

methyl (Z)-N-ethylbut-2-enimidate (PubChem CID 177000194) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is methyl (Z)-N-ethylbut-2-enimidate.

Molecular Properties

Compound Namemethyl (Z)-N-ethylbut-2-enimidate
PubChem CID177000194
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Namemethyl (Z)-N-ethylbut-2-enimidate
SMILESC/C=C\C(=N\CC)OC
InChIInChI=1S/C7H13NO/c1-4-6-7(9-3)8-5-2/h4,6H,5H2,1-3H3/b6-4-,8-7-
InChIKeyGKTJEPXZQDFEIN-MOIRPGTBSA-N
XLogP1.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.63
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 (Z)-N-ethylbut-2-enimidate?
The IUPAC name of methyl (Z)-N-ethylbut-2-enimidate (CID 177000194) is methyl (Z)-N-ethylbut-2-enimidate.
What is the SMILES notation for methyl (Z)-N-ethylbut-2-enimidate?
The canonical SMILES for methyl (Z)-N-ethylbut-2-enimidate is C/C=C\C(=N\CC)OC.
What is the InChIKey of methyl (Z)-N-ethylbut-2-enimidate?
The InChIKey is GKTJEPXZQDFEIN-MOIRPGTBSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6-7(9-3)8-5-2/h4,6H,5H2,1-3H3/b6-4-,8-7-.
What are the key properties of methyl (Z)-N-ethylbut-2-enimidate?
methyl (Z)-N-ethylbut-2-enimidate has a molecular weight of 127.19 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-N-ethylbut-2-enimidate is sourced from PubChem (CID 177000194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).