ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate

C8H15NO4 — CID 140655630

IUPACethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate
SMILESCCOC(=O)/N=C(/COC)OCC
InChIInChI=1S/C8H15NO4/c1-4-12-7(6-11-3)9-8(10)13-5-2/h4-6H2,1-3H3/b9-7-
InChIKeyKIYQOAHRAVZPEW-CLFYSBASSA-N
MW189.21 g/mol
LogP1.22
Rot. Bonds4

About ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate

ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate (PubChem CID 140655630) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate
PubChem CID140655630
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate
SMILESCCOC(=O)/N=C(/COC)OCC
InChIInChI=1S/C8H15NO4/c1-4-12-7(6-11-3)9-8(10)13-5-2/h4-6H2,1-3H3/b9-7-
InChIKeyKIYQOAHRAVZPEW-CLFYSBASSA-N
XLogP1.22
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl (1Z)-N-ethoxycarbonylethanimidate
CID 13488724
(1-Ethoxy-ethylidene)-carbamic acid ethyl ester
CID 22392642
Ethyl N-(ethoxycarbonyl)ethanimidate
CID 54019727
4-ethoxy-5H-1,3-oxazol-2-one
CID 89109413
ethyl N-ethoxycarbonyl-2-methoxyacetimidate
CID 90426579
2-(Ethoxycarbonylimino)-2-methoxyethyl acetate
CID 118956337
methyl (1Z)-N-ethoxycarbonyl-2-methoxypropanimidate
CID 12294131
methyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate
CID 21853364

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate?
The IUPAC name of ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate (CID 140655630) is ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate.
What is the SMILES notation for ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate?
The canonical SMILES for ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate is CCOC(=O)/N=C(/COC)OCC.
What is the InChIKey of ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate?
The InChIKey is KIYQOAHRAVZPEW-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-12-7(6-11-3)9-8(10)13-5-2/h4-6H2,1-3H3/b9-7-.
What are the key properties of ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate?
ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate has a molecular weight of 189.21 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-ethoxycarbonyl-2-methoxyethanimidate is sourced from PubChem (CID 140655630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).