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

C15H18N2O2 — CID 10801198

IUPAC3,7,9,11-tetramethyl-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)N(C)C(=O)N4C
InChIInChI=1S/C15H18N2O2/c1-6-8-7(2)15-9(6)13(3)10(8)14(13,15)11(18)16(4)12(19)17(15)5/h7-10H,1H2,2-5H3
InChIKeyDUCBZEKIXCAKMX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds

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

3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione (PubChem CID 10801198) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione.

Molecular Properties

Compound Name3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
PubChem CID10801198
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3,7,9,11-tetramethyl-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)N(C)C(=O)N4C
InChIInChI=1S/C15H18N2O2/c1-6-8-7(2)15-9(6)13(3)10(8)14(13,15)11(18)16(4)12(19)17(15)5/h7-10H,1H2,2-5H3
InChIKeyDUCBZEKIXCAKMX-UHFFFAOYSA-N
XLogP1.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
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
2,9,11-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
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
2,9-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
(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

Frequently Asked Questions

What is the IUPAC name of 3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The IUPAC name of 3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione (CID 10801198) is 3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione.
What is the SMILES notation for 3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The canonical SMILES for 3,7,9,11-tetramethyl-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)N(C)C(=O)N4C.
What is the InChIKey of 3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The InChIKey is DUCBZEKIXCAKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-6-8-7(2)15-9(6)13(3)10(8)14(13,15)11(18)16(4)12(19)17(15)5/h7-10H,1H2,2-5H3.
What are the key properties of 3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione has a molecular weight of 258.32 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9,11-tetramethyl-5-methylidene-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione is sourced from PubChem (CID 10801198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).