methyl (NE)-N-ethylidenecarbamate

C4H7NO2 — CID 22084553

IUPACmethyl (NE)-N-ethylidenecarbamate
SMILESC/C=N/C(=O)OC
InChIInChI=1S/C4H7NO2/c1-3-5-4(6)7-2/h3H,1-2H3/b5-3+
InChIKeyWOPGICRPYPMQMZ-HWKANZROSA-N
MW101.10 g/mol
LogP0.84
Rot. Bonds

About methyl (NE)-N-ethylidenecarbamate

methyl (NE)-N-ethylidenecarbamate (PubChem CID 22084553) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is methyl (NE)-N-ethylidenecarbamate.

Molecular Properties

Compound Namemethyl (NE)-N-ethylidenecarbamate
PubChem CID22084553
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Namemethyl (NE)-N-ethylidenecarbamate
SMILESC/C=N/C(=O)OC
InChIInChI=1S/C4H7NO2/c1-3-5-4(6)7-2/h3H,1-2H3/b5-3+
InChIKeyWOPGICRPYPMQMZ-HWKANZROSA-N
XLogP0.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Aethyliden-Urethan
CID 56617959
methyl N-pentylidenecarbamate
CID 56623768
methyl N-ethylidenecarbamate
CID 56631148
methyl N-propylidenecarbamate
CID 57032739
methyl N-butylidenecarbamate
CID 57181474
methyl (NZ)-N-ethylidenecarbamate
CID 59960677
methyl N-(2-iminoethylidene)carbamate
CID 173895076

Frequently Asked Questions

What is the IUPAC name of methyl (NE)-N-ethylidenecarbamate?
The IUPAC name of methyl (NE)-N-ethylidenecarbamate (CID 22084553) is methyl (NE)-N-ethylidenecarbamate.
What is the SMILES notation for methyl (NE)-N-ethylidenecarbamate?
The canonical SMILES for methyl (NE)-N-ethylidenecarbamate is C/C=N/C(=O)OC.
What is the InChIKey of methyl (NE)-N-ethylidenecarbamate?
The InChIKey is WOPGICRPYPMQMZ-HWKANZROSA-N. The full InChI is InChI=1S/C4H7NO2/c1-3-5-4(6)7-2/h3H,1-2H3/b5-3+.
What are the key properties of methyl (NE)-N-ethylidenecarbamate?
methyl (NE)-N-ethylidenecarbamate has a molecular weight of 101.10 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE)-N-ethylidenecarbamate is sourced from PubChem (CID 22084553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).