(3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate

C19H26N2O6 — CID 88533861

IUPAC(3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
SMILESCC1CC(=O)N(OC(=O)CCCCCCCCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C19H26N2O6/c1-14-13-17(24)21(19(14)26)27-18(25)9-7-5-3-2-4-6-8-12-20-15(22)10-11-16(20)23/h10-11,14H,2-9,12-13H2,1H3
InChIKeyFHRLTRGGUULERB-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.89
Rot. Bonds11

About (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate

(3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate (PubChem CID 88533861) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate.

Molecular Properties

Compound Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
PubChem CID88533861
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate
SMILESCC1CC(=O)N(OC(=O)CCCCCCCCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C19H26N2O6/c1-14-13-17(24)21(19(14)26)27-18(25)9-7-5-3-2-4-6-8-12-20-15(22)10-11-16(20)23/h10-11,14H,2-9,12-13H2,1H3
InChIKeyFHRLTRGGUULERB-UHFFFAOYSA-N
XLogP1.89
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate?
The IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate (CID 88533861) is (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate.
What is the SMILES notation for (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate?
The canonical SMILES for (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate is CC1CC(=O)N(OC(=O)CCCCCCCCCN2C(=O)C=CC2=O)C1=O.
What is the InChIKey of (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate?
The InChIKey is FHRLTRGGUULERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-14-13-17(24)21(19(14)26)27-18(25)9-7-5-3-2-4-6-8-12-20-15(22)10-11-16(20)23/h10-11,14H,2-9,12-13H2,1H3.
What are the key properties of (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate?
(3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate has a molecular weight of 378.43 g/mol, XLogP of 1.89, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,5-dioxopyrrolidin-1-yl) 10-(2,5-dioxopyrrol-1-yl)decanoate is sourced from PubChem (CID 88533861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).