ethyl N-methyl-N-prop-2-enylcarbamate

C7H13NO2 — CID 13119748

IUPACethyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OCC
InChIInChI=1S/C7H13NO2/c1-4-6-8(3)7(9)10-5-2/h4H,1,5-6H2,2-3H3
InChIKeyCQVRHUBCYVCCKO-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.26
Rot. Bonds3

About ethyl N-methyl-N-prop-2-enylcarbamate

ethyl N-methyl-N-prop-2-enylcarbamate (PubChem CID 13119748) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl N-methyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-prop-2-enylcarbamate
PubChem CID13119748
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OCC
InChIInChI=1S/C7H13NO2/c1-4-6-8(3)7(9)10-5-2/h4H,1,5-6H2,2-3H3
InChIKeyCQVRHUBCYVCCKO-UHFFFAOYSA-N
XLogP1.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-prop-2-enylcarbamate?
The IUPAC name of ethyl N-methyl-N-prop-2-enylcarbamate (CID 13119748) is ethyl N-methyl-N-prop-2-enylcarbamate.
What is the SMILES notation for ethyl N-methyl-N-prop-2-enylcarbamate?
The canonical SMILES for ethyl N-methyl-N-prop-2-enylcarbamate is C=CCN(C)C(=O)OCC.
What is the InChIKey of ethyl N-methyl-N-prop-2-enylcarbamate?
The InChIKey is CQVRHUBCYVCCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6-8(3)7(9)10-5-2/h4H,1,5-6H2,2-3H3.
What are the key properties of ethyl N-methyl-N-prop-2-enylcarbamate?
ethyl N-methyl-N-prop-2-enylcarbamate has a molecular weight of 143.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 13119748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).