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

C6H11NO2 — CID 116657055

IUPACmethyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-4-5-7(2)6(8)9-3/h4H,1,5H2,2-3H3
InChIKeyVVLFHWMCBCHZGH-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.87
Rot. Bonds2

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

methyl N-methyl-N-prop-2-enylcarbamate (PubChem CID 116657055) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl N-methyl-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-prop-2-enylcarbamate
PubChem CID116657055
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl N-methyl-N-prop-2-enylcarbamate
SMILESC=CCN(C)C(=O)OC
InChIInChI=1S/C6H11NO2/c1-4-5-7(2)6(8)9-3/h4H,1,5H2,2-3H3
InChIKeyVVLFHWMCBCHZGH-UHFFFAOYSA-N
XLogP0.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.87
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 methyl N-methyl-N-prop-2-enylcarbamate?
The IUPAC name of methyl N-methyl-N-prop-2-enylcarbamate (CID 116657055) is methyl N-methyl-N-prop-2-enylcarbamate.
What is the SMILES notation for methyl N-methyl-N-prop-2-enylcarbamate?
The canonical SMILES for methyl N-methyl-N-prop-2-enylcarbamate is C=CCN(C)C(=O)OC.
What is the InChIKey of methyl N-methyl-N-prop-2-enylcarbamate?
The InChIKey is VVLFHWMCBCHZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5-7(2)6(8)9-3/h4H,1,5H2,2-3H3.
What are the key properties of methyl N-methyl-N-prop-2-enylcarbamate?
methyl N-methyl-N-prop-2-enylcarbamate has a molecular weight of 129.16 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-prop-2-enylcarbamate is sourced from PubChem (CID 116657055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).