ethyl (1Z)-N-ethoxycarbonylmethanimidate

C6H11NO3 — CID 134893228

IUPACethyl (1Z)-N-ethoxycarbonylmethanimidate
SMILESCCO/C=N\C(=O)OCC
InChIInChI=1S/C6H11NO3/c1-3-9-5-7-6(8)10-4-2/h5H,3-4H2,1-2H3/b7-5-
InChIKeyGFZDPFFFELGNRG-ALCCZGGFSA-N
MW145.16 g/mol
LogP1.21
Rot. Bonds3

About ethyl (1Z)-N-ethoxycarbonylmethanimidate

ethyl (1Z)-N-ethoxycarbonylmethanimidate (PubChem CID 134893228) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl (1Z)-N-ethoxycarbonylmethanimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-ethoxycarbonylmethanimidate
PubChem CID134893228
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl (1Z)-N-ethoxycarbonylmethanimidate
SMILESCCO/C=N\C(=O)OCC
InChIInChI=1S/C6H11NO3/c1-3-9-5-7-6(8)10-4-2/h5H,3-4H2,1-2H3/b7-5-
InChIKeyGFZDPFFFELGNRG-ALCCZGGFSA-N
XLogP1.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.21
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 (1Z)-N-ethoxycarbonylmethanimidate?
The IUPAC name of ethyl (1Z)-N-ethoxycarbonylmethanimidate (CID 134893228) is ethyl (1Z)-N-ethoxycarbonylmethanimidate.
What is the SMILES notation for ethyl (1Z)-N-ethoxycarbonylmethanimidate?
The canonical SMILES for ethyl (1Z)-N-ethoxycarbonylmethanimidate is CCO/C=N\C(=O)OCC.
What is the InChIKey of ethyl (1Z)-N-ethoxycarbonylmethanimidate?
The InChIKey is GFZDPFFFELGNRG-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-9-5-7-6(8)10-4-2/h5H,3-4H2,1-2H3/b7-5-.
What are the key properties of ethyl (1Z)-N-ethoxycarbonylmethanimidate?
ethyl (1Z)-N-ethoxycarbonylmethanimidate has a molecular weight of 145.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-ethoxycarbonylmethanimidate is sourced from PubChem (CID 134893228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).