(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate

C20H25NO5 — CID 58482193

IUPAC(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate
SMILESO=C(CCCCCCC(=O)ON1C(=O)CCC1=O)CCc1ccccc1
InChIInChI=1S/C20H25NO5/c22-17(13-12-16-8-4-3-5-9-16)10-6-1-2-7-11-20(25)26-21-18(23)14-15-19(21)24/h3-5,8-9H,1-2,6-7,10-15H2
InChIKeyUURUGGYHYCYAJM-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.14
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate

(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate (PubChem CID 58482193) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate
PubChem CID58482193
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate
SMILESO=C(CCCCCCC(=O)ON1C(=O)CCC1=O)CCc1ccccc1
InChIInChI=1S/C20H25NO5/c22-17(13-12-16-8-4-3-5-9-16)10-6-1-2-7-11-20(25)26-21-18(23)14-15-19(21)24/h3-5,8-9H,1-2,6-7,10-15H2
InChIKeyUURUGGYHYCYAJM-UHFFFAOYSA-N
XLogP3.14
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
CID 88510244
(2,5-dioxopyrrolidin-1-yl) 8-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-8-oxooctanoate
CID 89032054
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate
CID 129168004

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate (CID 58482193) is (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate is O=C(CCCCCCC(=O)ON1C(=O)CCC1=O)CCc1ccccc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate?
The InChIKey is UURUGGYHYCYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c22-17(13-12-16-8-4-3-5-9-16)10-6-1-2-7-11-20(25)26-21-18(23)14-15-19(21)24/h3-5,8-9H,1-2,6-7,10-15H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate?
(2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate has a molecular weight of 359.42 g/mol, XLogP of 3.14, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 8-oxo-10-phenyldecanoate is sourced from PubChem (CID 58482193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).