4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione

C16H24N2O3 — CID 146324613

IUPAC4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione
SMILESCC(C)(C)N1CC2C(C1=O)C1C(=O)N(C(C)(C)C)C(=O)C21
InChIInChI=1S/C16H24N2O3/c1-15(2,3)17-7-8-9(12(17)19)11-10(8)13(20)18(14(11)21)16(4,5)6/h8-11H,7H2,1-6H3
InChIKeyAHUYPNDNJPEFSV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.27
Rot. Bonds

About 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione

4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione (PubChem CID 146324613) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione.

Molecular Properties

Compound Name4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione
PubChem CID146324613
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione
SMILESCC(C)(C)N1CC2C(C1=O)C1C(=O)N(C(C)(C)C)C(=O)C21
InChIInChI=1S/C16H24N2O3/c1-15(2,3)17-7-8-9(12(17)19)11-10(8)13(20)18(14(11)21)16(4,5)6/h8-11H,7H2,1-6H3
InChIKeyAHUYPNDNJPEFSV-UHFFFAOYSA-N
XLogP1.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(1R,2R,6S,7S)-4-tert-butylspiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 819324
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CID 59551502
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CID 735283
2-tert-butyl-5-methyl-1,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3-one
CID 154980878
1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one
CID 86092012
4,6-ditert-butyl-1-methyl-1,4-diazepan-5-one
CID 23555130
(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one
CID 11199116
1,4-ditert-butylpiperidine-2,6-dione
CID 23591871
1-tert-butyl-5-(methylamino)piperidin-2-one
CID 83696926
(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one
CID 94236113

Frequently Asked Questions

What is the IUPAC name of 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The IUPAC name of 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione (CID 146324613) is 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione.
What is the SMILES notation for 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The canonical SMILES for 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione is CC(C)(C)N1CC2C(C1=O)C1C(=O)N(C(C)(C)C)C(=O)C21.
What is the InChIKey of 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione?
The InChIKey is AHUYPNDNJPEFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)17-7-8-9(12(17)19)11-10(8)13(20)18(14(11)21)16(4,5)6/h8-11H,7H2,1-6H3.
What are the key properties of 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione?
4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione has a molecular weight of 292.38 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione is sourced from PubChem (CID 146324613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).