1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione

C12H14N2O3 — CID 177442377

IUPAC1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione
SMILESCn1c2c(c(=O)n(C)c1=O)C1(C)C=CC2(C)O1
InChIInChI=1S/C12H14N2O3/c1-11-5-6-12(2,17-11)8-7(11)9(15)14(4)10(16)13(8)3/h5-6H,1-4H3
InChIKeyWJTPQGMOBLZWKB-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.11
Rot. Bonds

About 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione

1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione (PubChem CID 177442377) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione.

Molecular Properties

Compound Name1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione
PubChem CID177442377
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione
SMILESCn1c2c(c(=O)n(C)c1=O)C1(C)C=CC2(C)O1
InChIInChI=1S/C12H14N2O3/c1-11-5-6-12(2,17-11)8-7(11)9(15)14(4)10(16)13(8)3/h5-6H,1-4H3
InChIKeyWJTPQGMOBLZWKB-UHFFFAOYSA-N
XLogP0.11
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione?
The IUPAC name of 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione (CID 177442377) is 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione.
What is the SMILES notation for 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione?
The canonical SMILES for 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione is Cn1c2c(c(=O)n(C)c1=O)C1(C)C=CC2(C)O1.
What is the InChIKey of 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione?
The InChIKey is WJTPQGMOBLZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-11-5-6-12(2,17-11)8-7(11)9(15)14(4)10(16)13(8)3/h5-6H,1-4H3.
What are the key properties of 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione?
1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione has a molecular weight of 234.25 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,8-tetramethyl-11-oxa-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),9-diene-4,6-dione is sourced from PubChem (CID 177442377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).