(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione

C19H28N2O6 — CID 174768072

IUPAC(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
SMILESCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1
InChIInChI=1S/C15H25NO4.C4H3NO2/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18;6-3-1-2-4(7)5-3/h2-12H2,1H3;1-2H,(H,5,6,7)
InChIKeyFEIDCDAPHTXJMR-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.32
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione

(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione (PubChem CID 174768072) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
PubChem CID174768072
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Name(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
SMILESCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1
InChIInChI=1S/C15H25NO4.C4H3NO2/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18;6-3-1-2-4(7)5-3/h2-12H2,1H3;1-2H,(H,5,6,7)
InChIKeyFEIDCDAPHTXJMR-UHFFFAOYSA-N
XLogP2.32
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
propyl hexanoate;pyrrole-2,5-dione
CID 174421276
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione (CID 174768072) is (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione is CCCCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C1C=CC(=O)N1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione?
The InChIKey is FEIDCDAPHTXJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4.C4H3NO2/c1-2-3-4-5-6-7-8-9-10-15(19)20-16-13(17)11-12-14(16)18;6-3-1-2-4(7)5-3/h2-12H2,1H3;1-2H,(H,5,6,7).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione has a molecular weight of 380.44 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione is sourced from PubChem (CID 174768072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).