bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate

C15H18AlN3O9 — CID 139719841

IUPACbis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate
SMILESO=C1CCN(C(=O)O[Al](OC(=O)N2CCC(=O)C2)OC(=O)N2CCC(=O)C2)C1
InChIInChI=1S/3C5H7NO3.Al/c3*7-4-1-2-6(3-4)5(8)9;/h3*1-3H2,(H,8,9);/q;;;+3/p-3
InChIKeyLAETZDZHHKLNSN-UHFFFAOYSA-K
MW411.30 g/mol
LogP-0.79
Rot. Bonds3

About bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate

bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate (PubChem CID 139719841) has the molecular formula C15H18AlN3O9 and a molecular weight of 411.30 g/mol. Its IUPAC name is bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate
PubChem CID139719841
Molecular FormulaC15H18AlN3O9
Molecular Weight411.30 g/mol
Exact Mass411.09
IUPAC Namebis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate
SMILESO=C1CCN(C(=O)O[Al](OC(=O)N2CCC(=O)C2)OC(=O)N2CCC(=O)C2)C1
InChIInChI=1S/3C5H7NO3.Al/c3*7-4-1-2-6(3-4)5(8)9;/h3*1-3H2,(H,8,9);/q;;;+3/p-3
InChIKeyLAETZDZHHKLNSN-UHFFFAOYSA-K
XLogP-0.79
TPSA139.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

prop-2-enyl 3-oxopyrrolidine-1-carboxylate
CID 15117217
(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819425
(4-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819399
(2,3,6-trimethylphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819416
(2-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819397
1-(2-aminoacetyl)pyrrolidin-3-one;hydrochloride
CID 102594215
(2,4-dimethylphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819412
1-(4-oxopiperidine-1-carbonyl)piperidin-4-one
CID 162120137
2,2,2-trichloroethyl 3-oxopiperidine-1-carboxylate
CID 141448559
tert-butyl (3E)-3-(dimethylaminomethylidene)-4-oxopyrrolidine-1-carboxylate;tert-butyl 3-oxopyrrolidine-1-carboxylate
CID 167650468
ethyl 4-oxopiperidine-1-carboxylate;methane
CID 143127714
1-acetylpiperidin-4-one;ethane
CID 91328133

Frequently Asked Questions

What is the IUPAC name of bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate?
The IUPAC name of bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate (CID 139719841) is bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate is O=C1CCN(C(=O)O[Al](OC(=O)N2CCC(=O)C2)OC(=O)N2CCC(=O)C2)C1.
What is the InChIKey of bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate?
The InChIKey is LAETZDZHHKLNSN-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H7NO3.Al/c3*7-4-1-2-6(3-4)5(8)9;/h3*1-3H2,(H,8,9);/q;;;+3/p-3.
What are the key properties of bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate?
bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate has a molecular weight of 411.30 g/mol, XLogP of -0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3-oxopyrrolidine-1-carbonyl)oxy]alumanyl 3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 139719841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).