ethyl N-ethenyl-N-prop-2-enoylcarbamate

C8H11NO3 — CID 19814965

IUPACethyl N-ethenyl-N-prop-2-enoylcarbamate
SMILESC=CC(=O)N(C=C)C(=O)OCC
InChIInChI=1S/C8H11NO3/c1-4-7(10)9(5-2)8(11)12-6-3/h4-5H,1-2,6H2,3H3
InChIKeyXMFHBNHQHWOVGL-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.30
Rot. Bonds3

About ethyl N-ethenyl-N-prop-2-enoylcarbamate

ethyl N-ethenyl-N-prop-2-enoylcarbamate (PubChem CID 19814965) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl N-ethenyl-N-prop-2-enoylcarbamate.

Molecular Properties

Compound Nameethyl N-ethenyl-N-prop-2-enoylcarbamate
PubChem CID19814965
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl N-ethenyl-N-prop-2-enoylcarbamate
SMILESC=CC(=O)N(C=C)C(=O)OCC
InChIInChI=1S/C8H11NO3/c1-4-7(10)9(5-2)8(11)12-6-3/h4-5H,1-2,6H2,3H3
InChIKeyXMFHBNHQHWOVGL-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-ethenyl-N-prop-2-enoylcarbamate?
The IUPAC name of ethyl N-ethenyl-N-prop-2-enoylcarbamate (CID 19814965) is ethyl N-ethenyl-N-prop-2-enoylcarbamate.
What is the SMILES notation for ethyl N-ethenyl-N-prop-2-enoylcarbamate?
The canonical SMILES for ethyl N-ethenyl-N-prop-2-enoylcarbamate is C=CC(=O)N(C=C)C(=O)OCC.
What is the InChIKey of ethyl N-ethenyl-N-prop-2-enoylcarbamate?
The InChIKey is XMFHBNHQHWOVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-4-7(10)9(5-2)8(11)12-6-3/h4-5H,1-2,6H2,3H3.
What are the key properties of ethyl N-ethenyl-N-prop-2-enoylcarbamate?
ethyl N-ethenyl-N-prop-2-enoylcarbamate has a molecular weight of 169.18 g/mol, XLogP of 1.30, 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-prop-2-enoylcarbamate is sourced from PubChem (CID 19814965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).