(2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate

C17H23NO4 — CID 158325383

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate
SMILESCC1=C(C)C(C)(CCC(=O)ON2C(=O)CCC2=O)C(C)=C1C
InChIInChI=1S/C17H23NO4/c1-10-11(2)13(4)17(5,12(10)3)9-8-16(21)22-18-14(19)6-7-15(18)20/h6-9H2,1-5H3
InChIKeyGPILSNFSIIMQFW-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.07
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate (PubChem CID 158325383) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate
PubChem CID158325383
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate
SMILESCC1=C(C)C(C)(CCC(=O)ON2C(=O)CCC2=O)C(C)=C1C
InChIInChI=1S/C17H23NO4/c1-10-11(2)13(4)17(5,12(10)3)9-8-16(21)22-18-14(19)6-7-15(18)20/h6-9H2,1-5H3
InChIKeyGPILSNFSIIMQFW-UHFFFAOYSA-N
XLogP3.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) 3-propan-2-yloxypropanoate
CID 121263313
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) 3-(3-methyldiazepan-3-yl)propanoate
CID 175418274
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]propanoate
CID 13055590
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 118063076

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate (CID 158325383) is (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate is CC1=C(C)C(C)(CCC(=O)ON2C(=O)CCC2=O)C(C)=C1C.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate?
The InChIKey is GPILSNFSIIMQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-10-11(2)13(4)17(5,12(10)3)9-8-16(21)22-18-14(19)6-7-15(18)20/h6-9H2,1-5H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate has a molecular weight of 305.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propanoate is sourced from PubChem (CID 158325383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).