9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane

C20H35NO5 — CID 161258197

IUPAC9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane
SMILESC.C.CCC1CC(=O)N(C(C)C(=O)CC(C)C(=O)CC(C)C(C)=O)C1=O
InChIInChI=1S/C18H27NO5.2CH4/c1-6-14-9-17(23)19(18(14)24)12(4)16(22)8-11(3)15(21)7-10(2)13(5)20;;/h10-12,14H,6-9H2,1-5H3;2*1H4
InChIKeyVCFBIUUOLZWLFC-UHFFFAOYSA-N
MW369.50 g/mol
LogP3.21
Rot. Bonds9

About 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane

9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane (PubChem CID 161258197) has the molecular formula C20H35NO5 and a molecular weight of 369.50 g/mol. Its IUPAC name is 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane.

Molecular Properties

Compound Name9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane
PubChem CID161258197
Molecular FormulaC20H35NO5
Molecular Weight369.50 g/mol
Exact Mass369.25
IUPAC Name9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane
SMILESC.C.CCC1CC(=O)N(C(C)C(=O)CC(C)C(=O)CC(C)C(C)=O)C1=O
InChIInChI=1S/C18H27NO5.2CH4/c1-6-14-9-17(23)19(18(14)24)12(4)16(22)8-11(3)15(21)7-10(2)13(5)20;;/h10-12,14H,6-9H2,1-5H3;2*1H4
InChIKeyVCFBIUUOLZWLFC-UHFFFAOYSA-N
XLogP3.21
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane?
The IUPAC name of 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane (CID 161258197) is 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane.
What is the SMILES notation for 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane?
The canonical SMILES for 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane is C.C.CCC1CC(=O)N(C(C)C(=O)CC(C)C(=O)CC(C)C(C)=O)C1=O.
What is the InChIKey of 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane?
The InChIKey is VCFBIUUOLZWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5.2CH4/c1-6-14-9-17(23)19(18(14)24)12(4)16(22)8-11(3)15(21)7-10(2)13(5)20;;/h10-12,14H,6-9H2,1-5H3;2*1H4.
What are the key properties of 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane?
9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane has a molecular weight of 369.50 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-3,6-dimethyldecane-2,5,8-trione;methane is sourced from PubChem (CID 161258197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).