4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione

C14H23NO2 — CID 123805396

IUPAC4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione
SMILESCC(C)(C)C1C(=O)NC(=O)C2CCC(C)(C)C21
InChIInChI=1S/C14H23NO2/c1-13(2,3)10-9-8(6-7-14(9,4)5)11(16)15-12(10)17/h8-10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyGGHYUFSVVSAMQP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.36
Rot. Bonds

About 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione

4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione (PubChem CID 123805396) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione.

Molecular Properties

Compound Name4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione
PubChem CID123805396
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione
SMILESCC(C)(C)C1C(=O)NC(=O)C2CCC(C)(C)C21
InChIInChI=1S/C14H23NO2/c1-13(2,3)10-9-8(6-7-14(9,4)5)11(16)15-12(10)17/h8-10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyGGHYUFSVVSAMQP-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione with MolForge

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Related Compounds

3,3-dimethyltricyclo[5.2.1.02,6]decan-10-one
CID 57356409
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CID 70539958
1,2-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-5-one
CID 131966008
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386
4-tert-butyl-2-azabicyclo[3.1.0]hexan-3-one
CID 176748808
2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione;hydrochloride
CID 57476085
4-tert-butyl-3,3-dimethylcyclohexan-1-one
CID 168743359
5,6-ditert-butyl-1,3-oxazinane-2,4-dione
CID 167328506
5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 23039099
3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;dihydrate;hydrochloride
CID 141446961
3-[3-(4-tert-butyl-2,5-dioxopyrrolidin-3-yl)-2,3-dimethylbutan-2-yl]-1-methylpyrrolidine-2,5-dione
CID 135300370
6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione
CID 163949892

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione?
The IUPAC name of 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione (CID 123805396) is 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione.
What is the SMILES notation for 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione?
The canonical SMILES for 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione is CC(C)(C)C1C(=O)NC(=O)C2CCC(C)(C)C21.
What is the InChIKey of 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione?
The InChIKey is GGHYUFSVVSAMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)10-9-8(6-7-14(9,4)5)11(16)15-12(10)17/h8-10H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione?
4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione has a molecular weight of 237.34 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione is sourced from PubChem (CID 123805396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).