3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione

C13H14N2O2 — CID 102152620

IUPAC3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
SMILESC=C1CC23C4C1C1C4(C)C12C(=O)NC(=O)N3C
InChIInChI=1S/C13H14N2O2/c1-5-4-12-7-6(5)8-11(7,2)13(8,12)9(16)14-10(17)15(12)3/h6-8H,1,4H2,2-3H3,(H,14,16,17)
InChIKeyWPGQPDBZVQZBMY-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.75
Rot. Bonds

About 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione

3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione (PubChem CID 102152620) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione.

Molecular Properties

Compound Name3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
PubChem CID102152620
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
SMILESC=C1CC23C4C1C1C4(C)C12C(=O)NC(=O)N3C
InChIInChI=1S/C13H14N2O2/c1-5-4-12-7-6(5)8-11(7,2)13(8,12)9(16)14-10(17)15(12)3/h6-8H,1,4H2,2-3H3,(H,14,16,17)
InChIKeyWPGQPDBZVQZBMY-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,10-Trimethyl-8,12-dimethylidene-3,5-diazatetracyclo[7.2.1.01,6.06,10]dodecane-2,4-dione
CID 10611226
3,9,11-Trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 14948704
4,9,11-Trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 14948705
2,4,9,11-Tetramethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 15536625
(2R,3S,4S,5S,8R)-2,4,9,11-tetramethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 11436828
(2S,3R,4S,5S,8R)-2,4,9,11-tetramethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 23232692
3,7,9-Trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
CID 102152621
2,4,9-Trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 102152622
2,9-Dimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
CID 102152623
(1S,2R,3R,4S,5R,8R)-4,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 177463150
(1R,2S,3R,4R,5S,8S)-2,4,9,11-tetramethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 177546327
(1S,2R,3R,4S,5S,8R)-3,9,11-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 177567827

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The IUPAC name of 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione (CID 102152620) is 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione.
What is the SMILES notation for 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The canonical SMILES for 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione is C=C1CC23C4C1C1C4(C)C12C(=O)NC(=O)N3C.
What is the InChIKey of 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The InChIKey is WPGQPDBZVQZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-5-4-12-7-6(5)8-11(7,2)13(8,12)9(16)14-10(17)15(12)3/h6-8H,1,4H2,2-3H3,(H,14,16,17).
What are the key properties of 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione has a molecular weight of 230.27 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione is sourced from PubChem (CID 102152620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).