ethyl N-ethenyl-N-methoxycarbamate

C6H11NO3 — CID 174918226

IUPACethyl N-ethenyl-N-methoxycarbamate
SMILESC=CN(OC)C(=O)OCC
InChIInChI=1S/C6H11NO3/c1-4-7(9-3)6(8)10-5-2/h4H,1,5H2,2-3H3
InChIKeyCFANDDOTWKITHF-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.15
Rot. Bonds3

About ethyl N-ethenyl-N-methoxycarbamate

ethyl N-ethenyl-N-methoxycarbamate (PubChem CID 174918226) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl N-ethenyl-N-methoxycarbamate.

Molecular Properties

Compound Nameethyl N-ethenyl-N-methoxycarbamate
PubChem CID174918226
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl N-ethenyl-N-methoxycarbamate
SMILESC=CN(OC)C(=O)OCC
InChIInChI=1S/C6H11NO3/c1-4-7(9-3)6(8)10-5-2/h4H,1,5H2,2-3H3
InChIKeyCFANDDOTWKITHF-UHFFFAOYSA-N
XLogP1.15
TPSA38.77 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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-ethenyl-N-methoxycarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-amino-N-ethenylcarbamate
CID 174832882
ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
N-formyl-N-methoxybutanamide
CID 89360816
ethyl N-fluoro-N-prop-2-enylcarbamate
CID 88867877
ethyl N,N-diaminocarbamate
CID 54365685
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
butane;diethyl 2-prop-2-enylpropanedioate
CID 129080422
ethyl N-methoxy-N-(2-methoxyethyl)carbamate
CID 45122902
ethene;ethyl prop-2-enoate;urea
CID 22098038
ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethenyl-N-methoxycarbamate?
The IUPAC name of ethyl N-ethenyl-N-methoxycarbamate (CID 174918226) is ethyl N-ethenyl-N-methoxycarbamate.
What is the SMILES notation for ethyl N-ethenyl-N-methoxycarbamate?
The canonical SMILES for ethyl N-ethenyl-N-methoxycarbamate is C=CN(OC)C(=O)OCC.
What is the InChIKey of ethyl N-ethenyl-N-methoxycarbamate?
The InChIKey is CFANDDOTWKITHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-7(9-3)6(8)10-5-2/h4H,1,5H2,2-3H3.
What are the key properties of ethyl N-ethenyl-N-methoxycarbamate?
ethyl N-ethenyl-N-methoxycarbamate has a molecular weight of 145.16 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenyl-N-methoxycarbamate is sourced from PubChem (CID 174918226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).