(5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione

C16H20N2O2 — CID 102270246

IUPAC(5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
SMILESC/C=C1\C2C(C)C34C1C1(C)C2C13C(=O)N(C)C(=O)N4C
InChIInChI=1S/C16H20N2O2/c1-6-8-9-7(2)16-10(8)14(3)11(9)15(14,16)12(19)17(4)13(20)18(16)5/h6-7,9-11H,1-5H3/b8-6+
InChIKeyHAUUZPMPCLWZMZ-SOFGYWHQSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds

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

(5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione (PubChem CID 102270246) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione.

Molecular Properties

Compound Name(5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
PubChem CID102270246
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione
SMILESC/C=C1\C2C(C)C34C1C1(C)C2C13C(=O)N(C)C(=O)N4C
InChIInChI=1S/C16H20N2O2/c1-6-8-9-7(2)16-10(8)14(3)11(9)15(14,16)12(19)17(4)13(20)18(16)5/h6-7,9-11H,1-5H3/b8-6+
InChIKeyHAUUZPMPCLWZMZ-SOFGYWHQSA-N
XLogP1.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione with MolForge

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Related Compounds

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
3,7,9-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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The IUPAC name of (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) is (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione.
What is the SMILES notation for (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The canonical SMILES for (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione is C/C=C1\C2C(C)C34C1C1(C)C2C13C(=O)N(C)C(=O)N4C.
What is the InChIKey of (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
The InChIKey is HAUUZPMPCLWZMZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-6-8-9-7(2)16-10(8)14(3)11(9)15(14,16)12(19)17(4)13(20)18(16)5/h6-7,9-11H,1-5H3/b8-6+.
What are the key properties of (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione?
(5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione has a molecular weight of 272.35 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-3,7,9,11-tetramethyl-9,11-diazapentacyclo[6.4.0.01,3.02,6.04,8]dodecane-10,12-dione is sourced from PubChem (CID 102270246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).