1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C13H17NO2 — CID 102460820

IUPAC1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC1=C(C)C2(C)CC1(C)C1C(=O)NC(=O)C12
InChIInChI=1S/C13H17NO2/c1-6-7(2)13(4)5-12(6,3)8-9(13)11(16)14-10(8)15/h8-9H,5H2,1-4H3,(H,14,15,16)
InChIKeySRLKZLBVXLAWSM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.64
Rot. Bonds

About 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 102460820) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID102460820
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC1=C(C)C2(C)CC1(C)C1C(=O)NC(=O)C12
InChIInChI=1S/C13H17NO2/c1-6-7(2)13(4)5-12(6,3)8-9(13)11(16)14-10(8)15/h8-9H,5H2,1-4H3,(H,14,15,16)
InChIKeySRLKZLBVXLAWSM-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione with MolForge

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Related Compounds

5-Norbornene-2,3-dicarboximide, exo-
CID 65584
3a,4,7,7a-Tetrahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
CID 97723
Lurasidone Impurity 34
CID 12398894
Norendimide
CID 10012220
4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-amino-3a,4,7,7a-tetrahydro-4,5,6,7,8-pentamethyl-, (3aR,4S,7R,7aS)-
CID 16724128
3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
CID 5037303
10-(Propan-2-ylidene)-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione
CID 2891835
(1R,7S)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 60145911
1,7,8,9,10-Penta-methyl-4-aza-tricyclo[5,2,1,0 2,6]dec-8-ene-3,5-dione
CID 85204619
(6S)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135028212
3a,3b,4,5,6,7,8,9,9a,9b-Decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione
CID 583839
rel-(3aR,4R,7S,7aS)-8-(1-methylethylidene)hexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 639346

Frequently Asked Questions

What is the IUPAC name of 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 102460820) is 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC1=C(C)C2(C)CC1(C)C1C(=O)NC(=O)C12.
What is the InChIKey of 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is SRLKZLBVXLAWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-6-7(2)13(4)5-12(6,3)8-9(13)11(16)14-10(8)15/h8-9H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 219.28 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,9-tetramethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 102460820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).