3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C14H20N2O — CID 68554087

IUPAC3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCc1c(C)c2n(c(=O)c1C)CC1CNCC2C1
InChIInChI=1S/C14H20N2O/c1-8-9(2)13-12-4-11(5-15-6-12)7-16(13)14(17)10(8)3/h11-12,15H,4-7H2,1-3H3
InChIKeySJDLRGJCKOPYQC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.48
Rot. Bonds

About 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 68554087) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID68554087
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCc1c(C)c2n(c(=O)c1C)CC1CNCC2C1
InChIInChI=1S/C14H20N2O/c1-8-9(2)13-12-4-11(5-15-6-12)7-16(13)14(17)10(8)3/h11-12,15H,4-7H2,1-3H3
InChIKeySJDLRGJCKOPYQC-UHFFFAOYSA-N
XLogP1.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 68554087) is 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is Cc1c(C)c2n(c(=O)c1C)CC1CNCC2C1.
What is the InChIKey of 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is SJDLRGJCKOPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-8-9(2)13-12-4-11(5-15-6-12)7-16(13)14(17)10(8)3/h11-12,15H,4-7H2,1-3H3.
What are the key properties of 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 232.33 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 68554087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).