methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione

C19H21NO6 — CID 159385426

IUPACmethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.O=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2.C5H8O2.C4H6O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-4(2)5(6)7-3;1-3(2)4(5)6/h1-7H;1H2,2-3H3;1H2,2H3,(H,5,6)
InChIKeyLLKXBIKWUKQGNM-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.50
Rot. Bonds3

About methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione

methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione (PubChem CID 159385426) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione
PubChem CID159385426
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namemethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.O=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2.C5H8O2.C4H6O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-4(2)5(6)7-3;1-3(2)4(5)6/h1-7H;1H2,2-3H3;1H2,2H3,(H,5,6)
InChIKeyLLKXBIKWUKQGNM-UHFFFAOYSA-N
XLogP2.50
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methylprop-2-enoate;2-methyl-5-phenylpenta-2,4-dienenitrile;1-phenylpyrrole-2,5-dione;styrene
CID 158306095
methane;1-phenylpyrrole-2,5-dione
CID 174935875
benzene;methane;bis(methyl 2-methylprop-2-enoate)
CID 174531928
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione
CID 145056952
methyl 2-methylprop-2-enoate;phenylsulfanylbenzene
CID 174614138
methyl 2-methylprop-2-enoate;pentacene
CID 159710658
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene
CID 175334987
[3-(2,5-dioxopyrrol-1-yl)phenyl] 2-methylprop-2-enoate;[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl] acetate
CID 161129264
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione?
The IUPAC name of methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione (CID 159385426) is methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione.
What is the SMILES notation for methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione?
The canonical SMILES for methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione is C=C(C)C(=O)O.C=C(C)C(=O)OC.O=C1C=CC(=O)N1c1ccccc1.
What is the InChIKey of methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione?
The InChIKey is LLKXBIKWUKQGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C5H8O2.C4H6O2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-4(2)5(6)7-3;1-3(2)4(5)6/h1-7H;1H2,2-3H3;1H2,2H3,(H,5,6).
What are the key properties of methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione?
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione has a molecular weight of 359.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 159385426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).