[ethyl(methyl)amino] prop-2-enoate

C6H11NO2 — CID 154170734

IUPAC[ethyl(methyl)amino] prop-2-enoate
SMILESC=CC(=O)ON(C)CC
InChIInChI=1S/C6H11NO2/c1-4-6(8)9-7(3)5-2/h4H,1,5H2,2-3H3
InChIKeyOYWRNIIAPYRNGC-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.58
Rot. Bonds3

About [ethyl(methyl)amino] prop-2-enoate

[ethyl(methyl)amino] prop-2-enoate (PubChem CID 154170734) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is [ethyl(methyl)amino] prop-2-enoate.

Molecular Properties

Compound Name[ethyl(methyl)amino] prop-2-enoate
PubChem CID154170734
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name[ethyl(methyl)amino] prop-2-enoate
SMILESC=CC(=O)ON(C)CC
InChIInChI=1S/C6H11NO2/c1-4-6(8)9-7(3)5-2/h4H,1,5H2,2-3H3
InChIKeyOYWRNIIAPYRNGC-UHFFFAOYSA-N
XLogP0.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethylamino prop-2-enoate
CID 20697927
azane;dimethylamino prop-2-enoate
CID 162313992
[ethyl(methoxycarbonyl)amino] prop-2-enoate
CID 174452943
[ethyl(pentan-3-yl)amino] prop-2-enoate
CID 87581943
bis(methyl prop-2-enoate);propane
CID 160610529
dimethoxymethane;methyl prop-2-enoate
CID 162245850
[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate
CID 145309283
[[(Z)-2-ethyloctadec-9-enyl]-methylamino] prop-2-enoate
CID 174631147
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
[ethyl(methyl)amino] 2-methylpent-2-enoate
CID 174359164
but-1-ene;methyl prop-2-eneperoxoate
CID 157272796
ethyl(dimethyl)stannane;methyl prop-2-enoate
CID 174264284

Frequently Asked Questions

What is the IUPAC name of [ethyl(methyl)amino] prop-2-enoate?
The IUPAC name of [ethyl(methyl)amino] prop-2-enoate (CID 154170734) is [ethyl(methyl)amino] prop-2-enoate.
What is the SMILES notation for [ethyl(methyl)amino] prop-2-enoate?
The canonical SMILES for [ethyl(methyl)amino] prop-2-enoate is C=CC(=O)ON(C)CC.
What is the InChIKey of [ethyl(methyl)amino] prop-2-enoate?
The InChIKey is OYWRNIIAPYRNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-6(8)9-7(3)5-2/h4H,1,5H2,2-3H3.
What are the key properties of [ethyl(methyl)amino] prop-2-enoate?
[ethyl(methyl)amino] prop-2-enoate has a molecular weight of 129.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)amino] prop-2-enoate is sourced from PubChem (CID 154170734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).