methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C20H37NO2 — CID 158665325

IUPACmethane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC.CC(C)(C)C1CC(C(C)(C)C)C2C(=O)N(C(C)(C)C)C(=O)C21
InChIInChI=1S/C19H33NO2.CH4/c1-17(2,3)11-10-12(18(4,5)6)14-13(11)15(21)20(16(14)22)19(7,8)9;/h11-14H,10H2,1-9H3;1H4
InChIKeyIDGVCNHXXOXLJU-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.75
Rot. Bonds

About methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 158665325) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Namemethane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID158665325
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Namemethane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC.CC(C)(C)C1CC(C(C)(C)C)C2C(=O)N(C(C)(C)C)C(=O)C21
InChIInChI=1S/C19H33NO2.CH4/c1-17(2,3)11-10-12(18(4,5)6)14-13(11)15(21)20(16(14)22)19(7,8)9;/h11-14H,10H2,1-9H3;1H4
InChIKeyIDGVCNHXXOXLJU-UHFFFAOYSA-N
XLogP4.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,9-ditert-butyl-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8-trione
CID 146324613
(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
4-tert-butyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;N-cyclopentyl-2,2-dimethylpropanamide
CID 161349347
3-tert-butyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 59551502
1,4-ditert-butylpiperidine-2,6-dione
CID 23591871
1-tert-butyl-3,6-dihydroazepine-2,7-dione
CID 139404910
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308
1,3-ditert-butyl-3H-indol-2-one
CID 11368584
4-(2-methylbutan-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 154985598
3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61289943
1,3-ditert-butyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 23555190
1,5-ditert-butyl-3-fluoropyrrolidin-2-one
CID 118330057

Frequently Asked Questions

What is the IUPAC name of methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 158665325) is methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is C.CC(C)(C)C1CC(C(C)(C)C)C2C(=O)N(C(C)(C)C)C(=O)C21.
What is the InChIKey of methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is IDGVCNHXXOXLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2.CH4/c1-17(2,3)11-10-12(18(4,5)6)14-13(11)15(21)20(16(14)22)19(7,8)9;/h11-14H,10H2,1-9H3;1H4.
What are the key properties of methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 323.52 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,4,6-tritert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 158665325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).