[2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate

C12H19NO5 — CID 140984900

IUPAC[2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C(=C)C)C(CO)N(C)C
InChIInChI=1S/C12H19NO5/c1-6-10(15)17-12(9(7-14)13(4)5)18-11(16)8(2)3/h6,9,12,14H,1-2,7H2,3-5H3
InChIKeyWPDFRRWNOAFBBF-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.08
Rot. Bonds7

About [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate

[2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate (PubChem CID 140984900) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
PubChem CID140984900
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name[2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C(=C)C)C(CO)N(C)C
InChIInChI=1S/C12H19NO5/c1-6-10(15)17-12(9(7-14)13(4)5)18-11(16)8(2)3/h6,9,12,14H,1-2,7H2,3-5H3
InChIKeyWPDFRRWNOAFBBF-UHFFFAOYSA-N
XLogP0.08
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729
[2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate
CID 140993462
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 87968331
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
CID 87514623
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
hexakis(hydroxymethyl 2-methylprop-2-enoate);hexakis(hydroxymethyl prop-2-enoate);methane
CID 160775085
butane-1,4-diol;prop-2-enoyl 2-methylprop-2-enoate
CID 87815570

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate (CID 140984900) is [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate is C=CC(=O)OC(OC(=O)C(=C)C)C(CO)N(C)C.
What is the InChIKey of [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate?
The InChIKey is WPDFRRWNOAFBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-6-10(15)17-12(9(7-14)13(4)5)18-11(16)8(2)3/h6,9,12,14H,1-2,7H2,3-5H3.
What are the key properties of [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate?
[2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate has a molecular weight of 257.29 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140984900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).