ethyl N-methyl-N-prop-2-enoylcarbamate

C7H11NO3 — CID 57221998

IUPACethyl N-methyl-N-prop-2-enoylcarbamate
SMILESC=CC(=O)N(C)C(=O)OCC
InChIInChI=1S/C7H11NO3/c1-4-6(9)8(3)7(10)11-5-2/h4H,1,5H2,2-3H3
InChIKeyZRNUNRWTFLCFRK-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.79
Rot. Bonds2

About ethyl N-methyl-N-prop-2-enoylcarbamate

ethyl N-methyl-N-prop-2-enoylcarbamate (PubChem CID 57221998) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl N-methyl-N-prop-2-enoylcarbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-prop-2-enoylcarbamate
PubChem CID57221998
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethyl N-methyl-N-prop-2-enoylcarbamate
SMILESC=CC(=O)N(C)C(=O)OCC
InChIInChI=1S/C7H11NO3/c1-4-6(9)8(3)7(10)11-5-2/h4H,1,5H2,2-3H3
InChIKeyZRNUNRWTFLCFRK-UHFFFAOYSA-N
XLogP0.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.79
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-methyl-N-prop-2-enoylcarbamate?
The IUPAC name of ethyl N-methyl-N-prop-2-enoylcarbamate (CID 57221998) is ethyl N-methyl-N-prop-2-enoylcarbamate.
What is the SMILES notation for ethyl N-methyl-N-prop-2-enoylcarbamate?
The canonical SMILES for ethyl N-methyl-N-prop-2-enoylcarbamate is C=CC(=O)N(C)C(=O)OCC.
What is the InChIKey of ethyl N-methyl-N-prop-2-enoylcarbamate?
The InChIKey is ZRNUNRWTFLCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-6(9)8(3)7(10)11-5-2/h4H,1,5H2,2-3H3.
What are the key properties of ethyl N-methyl-N-prop-2-enoylcarbamate?
ethyl N-methyl-N-prop-2-enoylcarbamate has a molecular weight of 157.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-prop-2-enoylcarbamate is sourced from PubChem (CID 57221998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).