3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione

C14H16N2O2 — CID 102152621

IUPAC3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
SMILESC=C1C2C(C)C34C1C1(C)C2C13C(=O)NC(=O)N4C
InChIInChI=1S/C14H16N2O2/c1-5-7-6(2)14-8(5)12(3)9(7)13(12,14)10(17)15-11(18)16(14)4/h6-9H,1H2,2-4H3,(H,15,17,18)
InChIKeyNQGDQGJNRIGTNO-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.99
Rot. Bonds

About 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione

3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione (PubChem CID 102152621) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione.

Molecular Properties

Compound Name3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
PubChem CID102152621
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
SMILESC=C1C2C(C)C34C1C1(C)C2C13C(=O)NC(=O)N4C
InChIInChI=1S/C14H16N2O2/c1-5-7-6(2)14-8(5)12(3)9(7)13(12,14)10(17)15-11(18)16(14)4/h6-9H,1H2,2-4H3,(H,15,17,18)
InChIKeyNQGDQGJNRIGTNO-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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
3,7,9,11-Tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
CID 10801198
2,9,11-Trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
CID 15326621
3,9,11-Trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
CID 15326622
3,9-Dimethyl-6-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,5.04,8]dodecane-10,12-dione
CID 102152620
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
(5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
CID 102270246

Frequently Asked Questions

What is the IUPAC name of 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The IUPAC name of 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione (CID 102152621) is 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione.
What is the SMILES notation for 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The canonical SMILES for 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione is C=C1C2C(C)C34C1C1(C)C2C13C(=O)NC(=O)N4C.
What is the InChIKey of 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The InChIKey is NQGDQGJNRIGTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-5-7-6(2)14-8(5)12(3)9(7)13(12,14)10(17)15-11(18)16(14)4/h6-9H,1H2,2-4H3,(H,15,17,18).
What are the key properties of 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione has a molecular weight of 244.29 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9-trimethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione is sourced from PubChem (CID 102152621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).