(3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate

C19H24N2O6 — CID 59082720

IUPAC(3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate
SMILESCC1CC(=O)N(OC(=O)CCCC2CCC(N3C(=O)C=CC3=O)CC2)C1=O
InChIInChI=1S/C19H24N2O6/c1-12-11-17(24)21(19(12)26)27-18(25)4-2-3-13-5-7-14(8-6-13)20-15(22)9-10-16(20)23/h9-10,12-14H,2-8,11H2,1H3
InChIKeyMNDMTJCZIWPQLI-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.49
Rot. Bonds6

About (3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate

(3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate (PubChem CID 59082720) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate.

Molecular Properties

Compound Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate
PubChem CID59082720
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate
SMILESCC1CC(=O)N(OC(=O)CCCC2CCC(N3C(=O)C=CC3=O)CC2)C1=O
InChIInChI=1S/C19H24N2O6/c1-12-11-17(24)21(19(12)26)27-18(25)4-2-3-13-5-7-14(8-6-13)20-15(22)9-10-16(20)23/h9-10,12-14H,2-8,11H2,1H3
InChIKeyMNDMTJCZIWPQLI-UHFFFAOYSA-N
XLogP1.49
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate?
The IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate (CID 59082720) is (3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate.
What is the SMILES notation for (3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate?
The canonical SMILES for (3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate is CC1CC(=O)N(OC(=O)CCCC2CCC(N3C(=O)C=CC3=O)CC2)C1=O.
What is the InChIKey of (3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate?
The InChIKey is MNDMTJCZIWPQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-12-11-17(24)21(19(12)26)27-18(25)4-2-3-13-5-7-14(8-6-13)20-15(22)9-10-16(20)23/h9-10,12-14H,2-8,11H2,1H3.
What are the key properties of (3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate?
(3-methyl-2,5-dioxopyrrolidin-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate has a molecular weight of 376.41 g/mol, XLogP of 1.49, 6 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) 4-[4-(2,5-dioxopyrrol-1-yl)cyclohexyl]butanoate is sourced from PubChem (CID 59082720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).