ethyl N-ethenyl-N-formylcarbamate

C6H9NO3 — CID 54277499

IUPACethyl N-ethenyl-N-formylcarbamate
SMILESC=CN(C=O)C(=O)OCC
InChIInChI=1S/C6H9NO3/c1-3-7(5-8)6(9)10-4-2/h3,5H,1,4H2,2H3
InChIKeyHNLXSIXNLQJWAA-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.74
Rot. Bonds3

About ethyl N-ethenyl-N-formylcarbamate

ethyl N-ethenyl-N-formylcarbamate (PubChem CID 54277499) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethyl N-ethenyl-N-formylcarbamate.

Molecular Properties

Compound Nameethyl N-ethenyl-N-formylcarbamate
PubChem CID54277499
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethyl N-ethenyl-N-formylcarbamate
SMILESC=CN(C=O)C(=O)OCC
InChIInChI=1S/C6H9NO3/c1-3-7(5-8)6(9)10-4-2/h3,5H,1,4H2,2H3
InChIKeyHNLXSIXNLQJWAA-UHFFFAOYSA-N
XLogP0.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-oxooxazole-3(2H)-carboxylate
CID 45090004
tert-Butyl formyl(vinyl)carbamate
CID 89760727
Ethenyl-ethoxycarbonyl-difluoroazanium
CID 88198830
3-Methyl-2-oxo-1,3-oxazol-3-ium-3-carbaldehyde
CID 17980763
ethyl N-ethenyl-N-hydroxycarbamate
CID 18415096
methyl N-ethenyl-N-methylcarbamate
CID 18533377
N,N-bis(ethenyl)formamide;ethyl carbamate
CID 19690343
butan-2-yl N-ethenyl-N-methylcarbamate
CID 19746872
ethyl N-ethenyl-N-methylcarbamate
CID 19875125
Divinyl urethane
CID 22923006
ethyl N-ethenyl-N-ethylcarbamate
CID 23189649
Ethenyl-ethoxycarbonyl-ethyl-methylazanium
CID 54155149

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethenyl-N-formylcarbamate?
The IUPAC name of ethyl N-ethenyl-N-formylcarbamate (CID 54277499) is ethyl N-ethenyl-N-formylcarbamate.
What is the SMILES notation for ethyl N-ethenyl-N-formylcarbamate?
The canonical SMILES for ethyl N-ethenyl-N-formylcarbamate is C=CN(C=O)C(=O)OCC.
What is the InChIKey of ethyl N-ethenyl-N-formylcarbamate?
The InChIKey is HNLXSIXNLQJWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-7(5-8)6(9)10-4-2/h3,5H,1,4H2,2H3.
What are the key properties of ethyl N-ethenyl-N-formylcarbamate?
ethyl N-ethenyl-N-formylcarbamate has a molecular weight of 143.14 g/mol, XLogP of 0.74, 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-formylcarbamate is sourced from PubChem (CID 54277499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).