azane;dimethylamino prop-2-enoate

C5H12N2O2 — CID 162313992

IUPACazane;dimethylamino prop-2-enoate
SMILESC=CC(=O)ON(C)C.N
InChIInChI=1S/C5H9NO2.H3N/c1-4-5(7)8-6(2)3;/h4H,1H2,2-3H3;1H3
InChIKeyGYGYRKDAHNKXRY-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.35
Rot. Bonds2

About azane;dimethylamino prop-2-enoate

azane;dimethylamino prop-2-enoate (PubChem CID 162313992) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is azane;dimethylamino prop-2-enoate.

Molecular Properties

Compound Nameazane;dimethylamino prop-2-enoate
PubChem CID162313992
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameazane;dimethylamino prop-2-enoate
SMILESC=CC(=O)ON(C)C.N
InChIInChI=1S/C5H9NO2.H3N/c1-4-5(7)8-6(2)3;/h4H,1H2,2-3H3;1H3
InChIKeyGYGYRKDAHNKXRY-UHFFFAOYSA-N
XLogP0.35
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
[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 azane;dimethylamino prop-2-enoate?
The IUPAC name of azane;dimethylamino prop-2-enoate (CID 162313992) is azane;dimethylamino prop-2-enoate.
What is the SMILES notation for azane;dimethylamino prop-2-enoate?
The canonical SMILES for azane;dimethylamino prop-2-enoate is C=CC(=O)ON(C)C.N.
What is the InChIKey of azane;dimethylamino prop-2-enoate?
The InChIKey is GYGYRKDAHNKXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.H3N/c1-4-5(7)8-6(2)3;/h4H,1H2,2-3H3;1H3.
What are the key properties of azane;dimethylamino prop-2-enoate?
azane;dimethylamino prop-2-enoate has a molecular weight of 132.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dimethylamino prop-2-enoate is sourced from PubChem (CID 162313992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).