ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate

C8H12N2O3 — CID 54134770

IUPACethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate
SMILESC=CC(=O)NC=CNC(=O)OCC
InChIInChI=1S/C8H12N2O3/c1-3-7(11)9-5-6-10-8(12)13-4-2/h3,5-6H,1,4H2,2H3,(H,9,11)(H,10,12)
InChIKeyNWXAFFCDNGYLIF-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.51
Rot. Bonds4

About ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate

ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate (PubChem CID 54134770) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate
PubChem CID54134770
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate
SMILESC=CC(=O)NC=CNC(=O)OCC
InChIInChI=1S/C8H12N2O3/c1-3-7(11)9-5-6-10-8(12)13-4-2/h3,5-6H,1,4H2,2H3,(H,9,11)(H,10,12)
InChIKeyNWXAFFCDNGYLIF-UHFFFAOYSA-N
XLogP0.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate?
The IUPAC name of ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate (CID 54134770) is ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate?
The canonical SMILES for ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate is C=CC(=O)NC=CNC(=O)OCC.
What is the InChIKey of ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate?
The InChIKey is NWXAFFCDNGYLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-7(11)9-5-6-10-8(12)13-4-2/h3,5-6H,1,4H2,2H3,(H,9,11)(H,10,12).
What are the key properties of ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate?
ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate has a molecular weight of 184.19 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate is sourced from PubChem (CID 54134770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).