4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione

C18H19N3O2 — CID 23497552

IUPAC4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESCn1[nH]c(=O)c2c1NC1=C(C(=O)C(C)(C)C1)C2c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-18(2)9-11-13(15(18)22)12(10-7-5-4-6-8-10)14-16(19-11)21(3)20-17(14)23/h4-8,12,19H,9H2,1-3H3,(H,20,23)
InChIKeySRSFCDRSVZORGY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.52
Rot. Bonds1

About 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione

4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (PubChem CID 23497552) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.

Molecular Properties

Compound Name4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
PubChem CID23497552
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
SMILESCn1[nH]c(=O)c2c1NC1=C(C(=O)C(C)(C)C1)C2c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-18(2)9-11-13(15(18)22)12(10-7-5-4-6-8-10)14-16(19-11)21(3)20-17(14)23/h4-8,12,19H,9H2,1-3H3,(H,20,23)
InChIKeySRSFCDRSVZORGY-UHFFFAOYSA-N
XLogP2.52
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The IUPAC name of 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione (CID 23497552) is 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione.
What is the SMILES notation for 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The canonical SMILES for 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is Cn1[nH]c(=O)c2c1NC1=C(C(=O)C(C)(C)C1)C2c1ccccc1.
What is the InChIKey of 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
The InChIKey is SRSFCDRSVZORGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(2)9-11-13(15(18)22)12(10-7-5-4-6-8-10)14-16(19-11)21(3)20-17(14)23/h4-8,12,19H,9H2,1-3H3,(H,20,23).
What are the key properties of 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione?
4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione has a molecular weight of 309.37 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,11-trimethyl-8-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione is sourced from PubChem (CID 23497552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).