[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate

C15H19NO4 — CID 58545249

IUPAC[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(N2C(=O)C(C)=C(C)C2=O)CC1
InChIInChI=1S/C15H19NO4/c1-4-13(17)20-12-7-5-11(6-8-12)16-14(18)9(2)10(3)15(16)19/h4,11-12H,1,5-8H2,2-3H3
InChIKeyLMLOWYAPRJQUJT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.73
Rot. Bonds3

About [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate

[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate (PubChem CID 58545249) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate
PubChem CID58545249
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(N2C(=O)C(C)=C(C)C2=O)CC1
InChIInChI=1S/C15H19NO4/c1-4-13(17)20-12-7-5-11(6-8-12)16-14(18)9(2)10(3)15(16)19/h4,11-12H,1,5-8H2,2-3H3
InChIKeyLMLOWYAPRJQUJT-UHFFFAOYSA-N
XLogP1.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.73
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

1-Cyclohexylpyrrole-2,5-dione;methyl 2-methylprop-2-enoate
CID 19016614
6-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexyl prop-2-enoate
CID 19352853
[4-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] 2-methylprop-2-enoate
CID 58545256
1-(4-Propan-2-yloxycyclohexyl)pyrrole-2,5-dione
CID 140609910
methyl (E)-4-[(4-methoxycyclohexyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate
CID 172074495
Methyl 4-[(4-methoxycyclohexyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate
CID 176062161
1-[4-[(2-Methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione
CID 177094525

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate?
The IUPAC name of [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate (CID 58545249) is [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate.
What is the SMILES notation for [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate?
The canonical SMILES for [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate is C=CC(=O)OC1CCC(N2C(=O)C(C)=C(C)C2=O)CC1.
What is the InChIKey of [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate?
The InChIKey is LMLOWYAPRJQUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-13(17)20-12-7-5-11(6-8-12)16-14(18)9(2)10(3)15(16)19/h4,11-12H,1,5-8H2,2-3H3.
What are the key properties of [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate?
[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate has a molecular weight of 277.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] prop-2-enoate is sourced from PubChem (CID 58545249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).