15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione

C16H21NO2 — CID 163026126

IUPAC15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione
SMILESCC1CC(=O)C2CCCn3cccc3C(=O)CC2C1
InChIInChI=1S/C16H21NO2/c1-11-8-12-10-16(19)14-5-3-7-17(14)6-2-4-13(12)15(18)9-11/h3,5,7,11-13H,2,4,6,8-10H2,1H3
InChIKeyXOYIPXJUESMOAY-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.09
Rot. Bonds

About 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione

15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione (PubChem CID 163026126) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione.

Molecular Properties

Compound Name15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione
PubChem CID163026126
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione
SMILESCC1CC(=O)C2CCCn3cccc3C(=O)CC2C1
InChIInChI=1S/C16H21NO2/c1-11-8-12-10-16(19)14-5-3-7-17(14)6-2-4-13(12)15(18)9-11/h3,5,7,11-13H,2,4,6,8-10H2,1H3
InChIKeyXOYIPXJUESMOAY-UHFFFAOYSA-N
XLogP3.09
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione?
The IUPAC name of 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione (CID 163026126) is 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione.
What is the SMILES notation for 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione?
The canonical SMILES for 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione is CC1CC(=O)C2CCCn3cccc3C(=O)CC2C1.
What is the InChIKey of 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione?
The InChIKey is XOYIPXJUESMOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-8-12-10-16(19)14-5-3-7-17(14)6-2-4-13(12)15(18)9-11/h3,5,7,11-13H,2,4,6,8-10H2,1H3.
What are the key properties of 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione?
15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione has a molecular weight of 259.35 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-8-azatricyclo[10.4.0.04,8]hexadeca-4,6-diene-3,13-dione is sourced from PubChem (CID 163026126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).