6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one

C15H20N2O — CID 114240010

IUPAC6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
SMILESCc1cccc2c1NC(=O)C1CCCCCCN21
InChIInChI=1S/C15H20N2O/c1-11-7-6-9-12-14(11)16-15(18)13-8-4-2-3-5-10-17(12)13/h6-7,9,13H,2-5,8,10H2,1H3,(H,16,18)
InChIKeyBUQKSLUTJDBXFS-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.09
Rot. Bonds

About 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one

6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one (PubChem CID 114240010) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
PubChem CID114240010
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
SMILESCc1cccc2c1NC(=O)C1CCCCCCN21
InChIInChI=1S/C15H20N2O/c1-11-7-6-9-12-14(11)16-15(18)13-8-4-2-3-5-10-17(12)13/h6-7,9,13H,2-5,8,10H2,1H3,(H,16,18)
InChIKeyBUQKSLUTJDBXFS-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one?
The IUPAC name of 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one (CID 114240010) is 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one.
What is the SMILES notation for 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one?
The canonical SMILES for 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one is Cc1cccc2c1NC(=O)C1CCCCCCN21.
What is the InChIKey of 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one?
The InChIKey is BUQKSLUTJDBXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-7-6-9-12-14(11)16-15(18)13-8-4-2-3-5-10-17(12)13/h6-7,9,13H,2-5,8,10H2,1H3,(H,16,18).
What are the key properties of 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one?
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one has a molecular weight of 244.34 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one is sourced from PubChem (CID 114240010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).