dimethylamino prop-2-enoate

C5H9NO2 — CID 20697927

IUPACdimethylamino prop-2-enoate
SMILESC=CC(=O)ON(C)C
InChIInChI=1S/C5H9NO2/c1-4-5(7)8-6(2)3/h4H,1H2,2-3H3
InChIKeyHOSXICNCYBUYAW-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.19
Rot. Bonds2

About dimethylamino prop-2-enoate

dimethylamino prop-2-enoate (PubChem CID 20697927) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is dimethylamino prop-2-enoate.

Molecular Properties

Compound Namedimethylamino prop-2-enoate
PubChem CID20697927
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namedimethylamino prop-2-enoate
SMILESC=CC(=O)ON(C)C
InChIInChI=1S/C5H9NO2/c1-4-5(7)8-6(2)3/h4H,1H2,2-3H3
InChIKeyHOSXICNCYBUYAW-UHFFFAOYSA-N
XLogP0.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.19
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

azane;dimethylamino prop-2-enoate
CID 162313992
[ethyl(methyl)amino] prop-2-enoate
CID 154170734
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
amino prop-2-enoate;N,N-dimethylmethanamine
CID 174521211
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
CID 175248115
bis(methyl prop-2-enoate);propane
CID 160610529
dimethyltin;methyl prop-2-enoate
CID 174578648
[ethyl(methoxycarbonyl)amino] prop-2-enoate
CID 174452943
dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate
CID 173160381

Frequently Asked Questions

What is the IUPAC name of dimethylamino prop-2-enoate?
The IUPAC name of dimethylamino prop-2-enoate (CID 20697927) is dimethylamino prop-2-enoate.
What is the SMILES notation for dimethylamino prop-2-enoate?
The canonical SMILES for dimethylamino prop-2-enoate is C=CC(=O)ON(C)C.
What is the InChIKey of dimethylamino prop-2-enoate?
The InChIKey is HOSXICNCYBUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4-5(7)8-6(2)3/h4H,1H2,2-3H3.
What are the key properties of dimethylamino prop-2-enoate?
dimethylamino prop-2-enoate has a molecular weight of 115.13 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino prop-2-enoate is sourced from PubChem (CID 20697927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).