ethyl N-(2-hydroxyethenyl)carbamate

C5H9NO3 — CID 173181517

IUPACethyl N-(2-hydroxyethenyl)carbamate
SMILESCCOC(=O)NC=CO
InChIInChI=1S/C5H9NO3/c1-2-9-5(8)6-3-4-7/h3-4,7H,2H2,1H3,(H,6,8)
InChIKeyWIXLTRHIRYMCIG-UHFFFAOYSA-N
MW131.13 g/mol
LogP0.76
Rot. Bonds2

About ethyl N-(2-hydroxyethenyl)carbamate

ethyl N-(2-hydroxyethenyl)carbamate (PubChem CID 173181517) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is ethyl N-(2-hydroxyethenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-hydroxyethenyl)carbamate
PubChem CID173181517
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameethyl N-(2-hydroxyethenyl)carbamate
SMILESCCOC(=O)NC=CO
InChIInChI=1S/C5H9NO3/c1-2-9-5(8)6-3-4-7/h3-4,7H,2H2,1H3,(H,6,8)
InChIKeyWIXLTRHIRYMCIG-UHFFFAOYSA-N
XLogP0.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate
CID 54134770
ethyl N-hydroxycarbamate
CID 11510
ethyl N-(2-chloro-3-oxoprop-1-enyl)carbamate
CID 154074178
CID 173374970
CID 173374970
ethyl N-nitrosocarbamate
CID 19911416
ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate
CID 11849673
ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate
CID 71619731
ethyl N-iodocarbamate
CID 21443578
CID 88818502
CID 88818502
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
[(1E,3E)-4-(ethoxycarbonylamino)buta-1,3-dienyl] benzoate
CID 12840358
ethyl N-but-3-en-2-ylcarbamate
CID 55287045

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-hydroxyethenyl)carbamate?
The IUPAC name of ethyl N-(2-hydroxyethenyl)carbamate (CID 173181517) is ethyl N-(2-hydroxyethenyl)carbamate.
What is the SMILES notation for ethyl N-(2-hydroxyethenyl)carbamate?
The canonical SMILES for ethyl N-(2-hydroxyethenyl)carbamate is CCOC(=O)NC=CO.
What is the InChIKey of ethyl N-(2-hydroxyethenyl)carbamate?
The InChIKey is WIXLTRHIRYMCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-9-5(8)6-3-4-7/h3-4,7H,2H2,1H3,(H,6,8).
What are the key properties of ethyl N-(2-hydroxyethenyl)carbamate?
ethyl N-(2-hydroxyethenyl)carbamate has a molecular weight of 131.13 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-hydroxyethenyl)carbamate is sourced from PubChem (CID 173181517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).