2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one

C15H20N2O — CID 143109453

IUPAC2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one
SMILESCC1=NC(C)C(=O)N(C)C2=C1C=CC(C)(C)C=C2
InChIInChI=1S/C15H20N2O/c1-10-12-6-8-15(3,4)9-7-13(12)17(5)14(18)11(2)16-10/h6-9,11H,1-5H3
InChIKeyVYZJIWYWWJKESH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.71
Rot. Bonds

About 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one

2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one (PubChem CID 143109453) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one.

Molecular Properties

Compound Name2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one
PubChem CID143109453
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one
SMILESCC1=NC(C)C(=O)N(C)C2=C1C=CC(C)(C)C=C2
InChIInChI=1S/C15H20N2O/c1-10-12-6-8-15(3,4)9-7-13(12)17(5)14(18)11(2)16-10/h6-9,11H,1-5H3
InChIKeyVYZJIWYWWJKESH-UHFFFAOYSA-N
XLogP2.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one?
The IUPAC name of 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one (CID 143109453) is 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one.
What is the SMILES notation for 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one?
The canonical SMILES for 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one is CC1=NC(C)C(=O)N(C)C2=C1C=CC(C)(C)C=C2.
What is the InChIKey of 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one?
The InChIKey is VYZJIWYWWJKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-12-6-8-15(3,4)9-7-13(12)17(5)14(18)11(2)16-10/h6-9,11H,1-5H3.
What are the key properties of 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one?
2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one has a molecular weight of 244.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,10,10-pentamethyl-2,5-diazabicyclo[5.5.0]dodeca-1(7),5,8,11-tetraen-3-one is sourced from PubChem (CID 143109453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).