2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione

C14H16N2O2 — CID 102152622

IUPAC2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
SMILESC=C1CC23N(C)C(=O)NC(=O)C24C2C4(C)C1C23C
InChIInChI=1S/C14H16N2O2/c1-6-5-13-11(2)7(6)12(3)8(11)14(12,13)9(17)15-10(18)16(13)4/h7-8H,1,5H2,2-4H3,(H,15,17,18)
InChIKeyGTHURSJVJFQOLK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.14
Rot. Bonds

About 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione

2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione (PubChem CID 102152622) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione.

Molecular Properties

Compound Name2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
PubChem CID102152622
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
SMILESC=C1CC23N(C)C(=O)NC(=O)C24C2C4(C)C1C23C
InChIInChI=1S/C14H16N2O2/c1-6-5-13-11(2)7(6)12(3)8(11)14(12,13)9(17)15-10(18)16(13)4/h7-8H,1,5H2,2-4H3,(H,15,17,18)
InChIKeyGTHURSJVJFQOLK-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.14
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
3,9-Dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 102152620
3,7,9-Trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
CID 102152621
2,9-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 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The IUPAC name of 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione (CID 102152622) is 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione.
What is the SMILES notation for 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The canonical SMILES for 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione is C=C1CC23N(C)C(=O)NC(=O)C24C2C4(C)C1C23C.
What is the InChIKey of 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
The InChIKey is GTHURSJVJFQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-6-5-13-11(2)7(6)12(3)8(11)14(12,13)9(17)15-10(18)16(13)4/h7-8H,1,5H2,2-4H3,(H,15,17,18).
What are the key properties of 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione?
2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione has a molecular weight of 244.29 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9-trimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione is sourced from PubChem (CID 102152622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).