ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate

C11H19NO3 — CID 10398307

IUPACethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate
SMILESCCOC(=O)/N=C(\CC1CC1C)OCC
InChIInChI=1S/C11H19NO3/c1-4-14-10(7-9-6-8(9)3)12-11(13)15-5-2/h8-9H,4-7H2,1-3H3/b12-10+
InChIKeyDQDBSBHUCGWULU-ZRDIBKRKSA-N
MW213.28 g/mol
LogP2.62
Rot. Bonds4

About ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate

ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate (PubChem CID 10398307) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate
PubChem CID10398307
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate
SMILESCCOC(=O)/N=C(\CC1CC1C)OCC
InChIInChI=1S/C11H19NO3/c1-4-14-10(7-9-6-8(9)3)12-11(13)15-5-2/h8-9H,4-7H2,1-3H3/b12-10+
InChIKeyDQDBSBHUCGWULU-ZRDIBKRKSA-N
XLogP2.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate?
The IUPAC name of ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate (CID 10398307) is ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate.
What is the SMILES notation for ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate?
The canonical SMILES for ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate is CCOC(=O)/N=C(\CC1CC1C)OCC.
What is the InChIKey of ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate?
The InChIKey is DQDBSBHUCGWULU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-14-10(7-9-6-8(9)3)12-11(13)15-5-2/h8-9H,4-7H2,1-3H3/b12-10+.
What are the key properties of ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate?
ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate has a molecular weight of 213.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-ethoxycarbonyl-2-(2-methylcyclopropyl)ethanimidate is sourced from PubChem (CID 10398307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).