methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene

C17H19NO4 — CID 175334987

IUPACmethyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene
SMILESC=C(C)C(=O)OC.C=Cc1ccccc1.O=C1C=CC(=O)N1
InChIInChI=1S/C8H8.C5H8O2.C4H3NO2/c1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3;6-3-1-2-4(7)5-3/h2-7H,1H2;1H2,2-3H3;1-2H,(H,5,6,7)
InChIKeyPWBUTPFJJWIYIU-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.26
Rot. Bonds2

About methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene

methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene (PubChem CID 175334987) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene
PubChem CID175334987
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namemethyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene
SMILESC=C(C)C(=O)OC.C=Cc1ccccc1.O=C1C=CC(=O)N1
InChIInChI=1S/C8H8.C5H8O2.C4H3NO2/c1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3;6-3-1-2-4(7)5-3/h2-7H,1H2;1H2,2-3H3;1-2H,(H,5,6,7)
InChIKeyPWBUTPFJJWIYIU-UHFFFAOYSA-N
XLogP2.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
(Z)-but-2-enedioic acid;methyl 2-methylprop-2-enoate;styrene
CID 70445514
(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene
CID 23364974
1-chloroprop-2-enylbenzene;methyl 2-methylprop-2-enoate;styrene
CID 158716634
1,2-bis(ethenyl)benzene;methyl 2-methylprop-2-enoate;prop-2-enenitrile;styrene
CID 6454412
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
(2S)-2-amino-3-hydroxypropanoic acid;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 173200014
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene
CID 161285099
bis(2-methylprop-2-enoyl) (Z)-but-2-enedioate;styrene
CID 87485822
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene?
The IUPAC name of methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene (CID 175334987) is methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene.
What is the SMILES notation for methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene?
The canonical SMILES for methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene is C=C(C)C(=O)OC.C=Cc1ccccc1.O=C1C=CC(=O)N1.
What is the InChIKey of methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene?
The InChIKey is PWBUTPFJJWIYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H8O2.C4H3NO2/c1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3;6-3-1-2-4(7)5-3/h2-7H,1H2;1H2,2-3H3;1-2H,(H,5,6,7).
What are the key properties of methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene?
methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene has a molecular weight of 301.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene is sourced from PubChem (CID 175334987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).