(dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one

C14H21NO5 — CID 70269515

IUPAC(dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one
SMILESC=C(C)C(=O)OCN(C)C.C=CC1C=COC(O)C1=O
InChIInChI=1S/C7H13NO2.C7H8O3/c1-6(2)7(9)10-5-8(3)4;1-2-5-3-4-10-7(9)6(5)8/h1,5H2,2-4H3;2-5,7,9H,1H2
InChIKeyJGTGXTVSZHUBOV-UHFFFAOYSA-N
MW283.32 g/mol
LogP0.84
Rot. Bonds4

About (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one

(dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one (PubChem CID 70269515) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one.

Molecular Properties

Compound Name(dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one
PubChem CID70269515
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one
SMILESC=C(C)C(=O)OCN(C)C.C=CC1C=COC(O)C1=O
InChIInChI=1S/C7H13NO2.C7H8O3/c1-6(2)7(9)10-5-8(3)4;1-2-5-3-4-10-7(9)6(5)8/h1,5H2,2-4H3;2-5,7,9H,1H2
InChIKeyJGTGXTVSZHUBOV-UHFFFAOYSA-N
XLogP0.84
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 50.84
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-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

(dimethylamino)methyl 2-methylidenehex-5-enoate;hydrochloride
CID 173004209
(dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane
CID 159914915
2H-oxet-2-yl 2-methylprop-2-enoate
CID 172735399
2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 87914656
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645
3-[4-(4-ethenoxyphenyl)phenyl]propyl 2-methylprop-2-enoate
CID 142602377
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
3-[4-(dimethylamino)phenyl]propyl 2-methylprop-2-enoate
CID 152697543

Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one?
The IUPAC name of (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one (CID 70269515) is (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one.
What is the SMILES notation for (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one?
The canonical SMILES for (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one is C=C(C)C(=O)OCN(C)C.C=CC1C=COC(O)C1=O.
What is the InChIKey of (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one?
The InChIKey is JGTGXTVSZHUBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C7H8O3/c1-6(2)7(9)10-5-8(3)4;1-2-5-3-4-10-7(9)6(5)8/h1,5H2,2-4H3;2-5,7,9H,1H2.
What are the key properties of (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one?
(dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one has a molecular weight of 283.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl 2-methylprop-2-enoate;4-ethenyl-2-hydroxy-4H-pyran-3-one is sourced from PubChem (CID 70269515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).