(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

C15H18N2O6 — CID 58661634

IUPAC(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCC1CC(=O)N(OC(=O)CCCCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C15H18N2O6/c1-10-9-13(20)17(15(10)22)23-14(21)5-3-2-4-8-16-11(18)6-7-12(16)19/h6-7,10H,2-5,8-9H2,1H3
InChIKeyFZUSCQDFAZYLGG-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.32
Rot. Bonds7

About (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 58661634) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID58661634
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESCC1CC(=O)N(OC(=O)CCCCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C15H18N2O6/c1-10-9-13(20)17(15(10)22)23-14(21)5-3-2-4-8-16-11(18)6-7-12(16)19/h6-7,10H,2-5,8-9H2,1H3
InChIKeyFZUSCQDFAZYLGG-UHFFFAOYSA-N
XLogP0.32
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.32
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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Related Compounds

CID 125175
CID 125175
CID 5091655
CID 5091655
CID 5091658
CID 5091658
CID 5091657
CID 5091657
CID 9796541
CID 9796541
CID 9949147
CID 9949147
CID 9976006
CID 9976006
CID 13421309
CID 13421309
CID 19391139
CID 19391139
CID 20089730
CID 20089730
CID 21646446
CID 21646446
CID 22603590
CID 22603590

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 58661634) is (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is CC1CC(=O)N(OC(=O)CCCCCN2C(=O)C=CC2=O)C1=O.
What is the InChIKey of (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is FZUSCQDFAZYLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-10-9-13(20)17(15(10)22)23-14(21)5-3-2-4-8-16-11(18)6-7-12(16)19/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of (3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?
(3-methyl-2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 322.32 g/mol, XLogP of 0.32, 7 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) 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 58661634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).