methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate

C14H17NO4 — CID 155350963

IUPACmethyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate
SMILESC=CC1=C(/C=C(\C)C(=O)OC)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C14H17NO4/c1-6-10-11(7-9(4)14(18)19-5)13(17)15(8(2)3)12(10)16/h6-8H,1H2,2-5H3/b9-7+
InChIKeySWZUWZKXGIKJHT-VQHVLOKHSA-N
MW263.29 g/mol
LogP1.37
Rot. Bonds4

About methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate

methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate (PubChem CID 155350963) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate
PubChem CID155350963
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate
SMILESC=CC1=C(/C=C(\C)C(=O)OC)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C14H17NO4/c1-6-10-11(7-9(4)14(18)19-5)13(17)15(8(2)3)12(10)16/h6-8H,1H2,2-5H3/b9-7+
InChIKeySWZUWZKXGIKJHT-VQHVLOKHSA-N
XLogP1.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
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

3,4-bis(ethenyl)-1-(3-oxobutan-2-yl)pyrrole-2,5-dione
CID 155711829
methyl (E)-3-(5-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoate
CID 139609247
methyl 3-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-methylprop-2-enoate
CID 74411712
3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione
CID 144985941
methyl (2E,4S,5E)-6-iodo-2,4-dimethylhexa-2,5-dienoate
CID 11975139
methyl 2-methyl-3-thiophen-2-ylprop-2-enoate
CID 57285992
methyl 4,8-dihydroxy-2-methylnon-2-enoate
CID 173440070
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
methyl (E)-3-(4-bromophenyl)-2-methylprop-2-enoate
CID 16664756
methyl 4-formyl-2-methylpenta-2,4-dienoate
CID 123410073
methyl (2E,4E)-2,5-dimethylhepta-2,4,6-trienoate
CID 87948961
methyl (E)-3-(2,5-dioxofuran-3-yl)-2-methylprop-2-enoate
CID 139680481

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate?
The IUPAC name of methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate (CID 155350963) is methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate is C=CC1=C(/C=C(\C)C(=O)OC)C(=O)N(C(C)C)C1=O.
What is the InChIKey of methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate?
The InChIKey is SWZUWZKXGIKJHT-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H17NO4/c1-6-10-11(7-9(4)14(18)19-5)13(17)15(8(2)3)12(10)16/h6-8H,1H2,2-5H3/b9-7+.
What are the key properties of methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate?
methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate has a molecular weight of 263.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-ethenyl-2,5-dioxo-1-propan-2-ylpyrrol-3-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 155350963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).