6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate

C16H23NO4 — CID 5463785

IUPAC6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C16H23NO4/c1-11(2)16(20)21-10-8-6-5-7-9-17-14(18)12(3)13(4)15(17)19/h1,5-10H2,2-4H3
InChIKeySGONPVYGYALKRZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.37
Rot. Bonds8

About 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate

6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate (PubChem CID 5463785) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate
PubChem CID5463785
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCN1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C16H23NO4/c1-11(2)16(20)21-10-8-6-5-7-9-17-14(18)12(3)13(4)15(17)19/h1,5-10H2,2-4H3
InChIKeySGONPVYGYALKRZ-UHFFFAOYSA-N
XLogP2.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)propyl 2-methylprop-2-enoate
CID 18179314
1-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexan-2-yl 2-methylprop-2-enoate
CID 19352837
6-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexyl prop-2-enoate
CID 19352853
1-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)octan-2-yl 2-methylprop-2-enoate
CID 23304140
6-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate
CID 23561587
[4-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)cyclohexyl] 2-methylprop-2-enoate
CID 58545256
6-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylbutanoate
CID 68023769
[6-[Methyl-[4-(2-methylprop-2-enoyloxy)butyl]amino]-6-oxohexyl] 2-methylprop-2-enoate
CID 87747969
6-[Butyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
CID 87758668
6-[Ethyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
CID 87758863
6-[Methyl(2-oxopropanoyl)amino]hexyl 2-methylprop-2-enoate
CID 87759148
5-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)pentyl 2-methylprop-2-enoate
CID 89831783

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate (CID 5463785) is 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCN1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate?
The InChIKey is SGONPVYGYALKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)16(20)21-10-8-6-5-7-9-17-14(18)12(3)13(4)15(17)19/h1,5-10H2,2-4H3.
What are the key properties of 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate?
6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate has a molecular weight of 293.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 5463785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).