2-(methylamino)prop-2-enyl acetate

C6H11NO2 — CID 138713995

IUPAC2-(methylamino)prop-2-enyl acetate
SMILESC=C(COC(C)=O)NC
InChIInChI=1S/C6H11NO2/c1-5(7-3)4-9-6(2)8/h7H,1,4H2,2-3H3
InChIKeyMEXGCYXIVZPUNT-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.28
Rot. Bonds3

About 2-(methylamino)prop-2-enyl acetate

2-(methylamino)prop-2-enyl acetate (PubChem CID 138713995) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(methylamino)prop-2-enyl acetate.

Molecular Properties

Compound Name2-(methylamino)prop-2-enyl acetate
PubChem CID138713995
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(methylamino)prop-2-enyl acetate
SMILESC=C(COC(C)=O)NC
InChIInChI=1S/C6H11NO2/c1-5(7-3)4-9-6(2)8/h7H,1,4H2,2-3H3
InChIKeyMEXGCYXIVZPUNT-UHFFFAOYSA-N
XLogP0.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)prop-2-enyl acetate?
The IUPAC name of 2-(methylamino)prop-2-enyl acetate (CID 138713995) is 2-(methylamino)prop-2-enyl acetate.
What is the SMILES notation for 2-(methylamino)prop-2-enyl acetate?
The canonical SMILES for 2-(methylamino)prop-2-enyl acetate is C=C(COC(C)=O)NC.
What is the InChIKey of 2-(methylamino)prop-2-enyl acetate?
The InChIKey is MEXGCYXIVZPUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(7-3)4-9-6(2)8/h7H,1,4H2,2-3H3.
What are the key properties of 2-(methylamino)prop-2-enyl acetate?
2-(methylamino)prop-2-enyl acetate has a molecular weight of 129.16 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)prop-2-enyl acetate is sourced from PubChem (CID 138713995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).