ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one

C13H23NO6 — CID 22153662

IUPACethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one
SMILESC=COC(=O)C(=C)C.O=C1CCCN1.OCC(O)CO
InChIInChI=1S/C6H8O2.C4H7NO.C3H8O3/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4;4-1-3(6)2-5/h4H,1-2H2,3H3;1-3H2,(H,5,6);3-6H,1-2H2
InChIKeyYBDIQKPERWQSHK-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.52
Rot. Bonds4

About ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one

ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one (PubChem CID 22153662) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one.

Molecular Properties

Compound Nameethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one
PubChem CID22153662
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Nameethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one
SMILESC=COC(=O)C(=C)C.O=C1CCCN1.OCC(O)CO
InChIInChI=1S/C6H8O2.C4H7NO.C3H8O3/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4;4-1-3(6)2-5/h4H,1-2H2,3H3;1-3H2,(H,5,6);3-6H,1-2H2
InChIKeyYBDIQKPERWQSHK-UHFFFAOYSA-N
XLogP-0.52
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propane-1,2,3-triol;pyrrolidin-2-one
CID 23046607
2-methylprop-1-ene;pyrrolidin-2-one
CID 174928634
azepan-2-one;propane-1,2,3-triol
CID 67586628
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one
CID 160933786
ethenyl acetate;2-ethenylpyridine;pyrrolidin-2-one
CID 174810961
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
1,1,1,3,3,3-hexafluoropropane;2-methylprop-2-enoic acid;pyrrolidin-2-one
CID 159858111
prop-2-enamide;pyrrolidin-2-one
CID 23358591
ethenyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
CID 174989459
chloroethene;pyrrolidin-2-one
CID 159763245
2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 67766613
but-3-enoic acid;ethene;pyrrolidin-2-one
CID 157363555

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one?
The IUPAC name of ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one (CID 22153662) is ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one.
What is the SMILES notation for ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one?
The canonical SMILES for ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one is C=COC(=O)C(=C)C.O=C1CCCN1.OCC(O)CO.
What is the InChIKey of ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one?
The InChIKey is YBDIQKPERWQSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C4H7NO.C3H8O3/c1-4-8-6(7)5(2)3;6-4-2-1-3-5-4;4-1-3(6)2-5/h4H,1-2H2,3H3;1-3H2,(H,5,6);3-6H,1-2H2.
What are the key properties of ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one?
ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one has a molecular weight of 289.33 g/mol, XLogP of -0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one is sourced from PubChem (CID 22153662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).