(2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate

C15H15NO4 — CID 160570698

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate
SMILESO=C(CCC1=C/C=C\C=C/C=C1)ON1C(=O)CCC1=O
InChIInChI=1S/C15H15NO4/c17-13-9-10-14(18)16(13)20-15(19)11-8-12-6-4-2-1-3-5-7-12/h1-7H,8-11H2/b2-1-,3-1-,4-2-,5-3?,6-4?,7-5?,12-6?,12-7?
InChIKeyUTLVMOLRFVDYCE-CAOFGYLYSA-N
MW273.29 g/mol
LogP1.98
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate

(2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate (PubChem CID 160570698) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate
PubChem CID160570698
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate
SMILESO=C(CCC1=C/C=C\C=C/C=C1)ON1C(=O)CCC1=O
InChIInChI=1S/C15H15NO4/c17-13-9-10-14(18)16(13)20-15(19)11-8-12-6-4-2-1-3-5-7-12/h1-7H,8-11H2/b2-1-,3-1-,4-2-,5-3?,6-4?,7-5?,12-6?,12-7?
InChIKeyUTLVMOLRFVDYCE-CAOFGYLYSA-N
XLogP1.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.98
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) 4-cyclopenta-1,4-dien-1-ylbutanoate
CID 154973989
(2,5-dioxopyrrolidin-1-yl) 3-(4-methylphenyl)propanoate
CID 88510244
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(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) 3-(4-methoxyphenyl)propanoate
CID 15690079
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;methane
CID 161065526
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
CID 90296712
(2,5-dioxopyrrolidin-1-yl) 3-[4-(2-oxobutyl)phenyl]propanoate
CID 160984020
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate (CID 160570698) is (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate is O=C(CCC1=C/C=C\C=C/C=C1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate?
The InChIKey is UTLVMOLRFVDYCE-CAOFGYLYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-13-9-10-14(18)16(13)20-15(19)11-8-12-6-4-2-1-3-5-7-12/h1-7H,8-11H2/b2-1-,3-1-,4-2-,5-3?,6-4?,7-5?,12-6?,12-7?.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-(cyclooctatetraenyl)propanoate has a molecular weight of 273.29 g/mol, XLogP of 1.98, 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-(cyclooctatetraenyl)propanoate is sourced from PubChem (CID 160570698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).