methyl N-methoxycarbonylethanimidate;vanadium

C5H9NO3V — CID 161393286

IUPACmethyl N-methoxycarbonylethanimidate;vanadium
SMILESCOC(=O)N=C(C)OC.[V]
InChIInChI=1S/C5H9NO3.V/c1-4(8-2)6-5(7)9-3;/h1-3H3;
InChIKeyVTGPTHVKUGEMDA-UHFFFAOYSA-N
MW182.07 g/mol
LogP0.82
Rot. Bonds

About methyl N-methoxycarbonylethanimidate;vanadium

methyl N-methoxycarbonylethanimidate;vanadium (PubChem CID 161393286) has the molecular formula C5H9NO3V and a molecular weight of 182.07 g/mol. Its IUPAC name is methyl N-methoxycarbonylethanimidate;vanadium.

Molecular Properties

Compound Namemethyl N-methoxycarbonylethanimidate;vanadium
PubChem CID161393286
Molecular FormulaC5H9NO3V
Molecular Weight182.07 g/mol
Exact Mass182.00
IUPAC Namemethyl N-methoxycarbonylethanimidate;vanadium
SMILESCOC(=O)N=C(C)OC.[V]
InChIInChI=1S/C5H9NO3.V/c1-4(8-2)6-5(7)9-3;/h1-3H3;
InChIKeyVTGPTHVKUGEMDA-UHFFFAOYSA-N
XLogP0.82
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 50.82
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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Related Compounds

ethyl (1Z)-N-ethoxycarbonylethanimidate
CID 13488724
methyl (1Z)-N-methoxycarbonylpropanimidate
CID 13352858
propyl (1E)-N-methoxycarbonylethanimidate
CID 21350809
(1-Ethoxy-ethylidene)-carbamic acid ethyl ester
CID 22392642
Ethyl N-(ethoxycarbonyl)ethanimidate
CID 54019727
methyl (1E)-N-methoxycarbonylethanimidate
CID 59961054
methyl N-methoxycarbonylethanimidate
CID 73694617
methyl (1Z)-N-methoxycarbonylethanimidate
CID 20670366
(1Z)-N-methoxycarbonylethanimidate
CID 54723605
propyl N-methoxycarbonylethanimidate
CID 73771342

Frequently Asked Questions

What is the IUPAC name of methyl N-methoxycarbonylethanimidate;vanadium?
The IUPAC name of methyl N-methoxycarbonylethanimidate;vanadium (CID 161393286) is methyl N-methoxycarbonylethanimidate;vanadium.
What is the SMILES notation for methyl N-methoxycarbonylethanimidate;vanadium?
The canonical SMILES for methyl N-methoxycarbonylethanimidate;vanadium is COC(=O)N=C(C)OC.[V].
What is the InChIKey of methyl N-methoxycarbonylethanimidate;vanadium?
The InChIKey is VTGPTHVKUGEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.V/c1-4(8-2)6-5(7)9-3;/h1-3H3;.
What are the key properties of methyl N-methoxycarbonylethanimidate;vanadium?
methyl N-methoxycarbonylethanimidate;vanadium has a molecular weight of 182.07 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methoxycarbonylethanimidate;vanadium is sourced from PubChem (CID 161393286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).