3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione

C21H24N2O4 — CID 174312166

IUPAC3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione
SMILESC=CC1=C(C(C)C(=C(C)C)C(C)C2=C(C=C)C(=O)N(C)C2=O)C(=O)NC1=O
InChIInChI=1S/C21H24N2O4/c1-8-13-16(19(25)22-18(13)24)11(5)15(10(3)4)12(6)17-14(9-2)20(26)23(7)21(17)27/h8-9,11-12H,1-2H2,3-7H3,(H,22,24,25)
InChIKeyBJOLRHSTUHNMJD-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.22
Rot. Bonds6

About 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione

3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione (PubChem CID 174312166) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione
PubChem CID174312166
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione
SMILESC=CC1=C(C(C)C(=C(C)C)C(C)C2=C(C=C)C(=O)N(C)C2=O)C(=O)NC1=O
InChIInChI=1S/C21H24N2O4/c1-8-13-16(19(25)22-18(13)24)11(5)15(10(3)4)12(6)17-14(9-2)20(26)23(7)21(17)27/h8-9,11-12H,1-2H2,3-7H3,(H,22,24,25)
InChIKeyBJOLRHSTUHNMJD-UHFFFAOYSA-N
XLogP2.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione (CID 174312166) is 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione is C=CC1=C(C(C)C(=C(C)C)C(C)C2=C(C=C)C(=O)N(C)C2=O)C(=O)NC1=O.
What is the InChIKey of 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione?
The InChIKey is BJOLRHSTUHNMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-8-13-16(19(25)22-18(13)24)11(5)15(10(3)4)12(6)17-14(9-2)20(26)23(7)21(17)27/h8-9,11-12H,1-2H2,3-7H3,(H,22,24,25).
What are the key properties of 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione?
3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione has a molecular weight of 368.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-[3-[1-(4-ethenyl-2,5-dioxopyrrol-3-yl)ethyl]-4-methylpent-3-en-2-yl]-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 174312166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).