(1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one

C15H18N2O — CID 130316981

IUPAC(1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one
SMILESCN1CC2CNCC2C2=C/C=C\C=C/C=C\2C1=O
InChIInChI=1S/C15H18N2O/c1-17-10-11-8-16-9-14(11)12-6-4-2-3-5-7-13(12)15(17)18/h2-7,11,14,16H,8-10H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,12-6+,13-7+
InChIKeyGQVGXDXMSRRTIC-BGDBZSOXSA-N
MW242.32 g/mol
LogP1.27
Rot. Bonds

About (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one

(1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one (PubChem CID 130316981) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one.

Molecular Properties

Compound Name(1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one
PubChem CID130316981
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one
SMILESCN1CC2CNCC2C2=C/C=C\C=C/C=C\2C1=O
InChIInChI=1S/C15H18N2O/c1-17-10-11-8-16-9-14(11)12-6-4-2-3-5-7-13(12)15(17)18/h2-7,11,14,16H,8-10H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,12-6+,13-7+
InChIKeyGQVGXDXMSRRTIC-BGDBZSOXSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one?
The IUPAC name of (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one (CID 130316981) is (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one.
What is the SMILES notation for (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one?
The canonical SMILES for (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one is CN1CC2CNCC2C2=C/C=C\C=C/C=C\2C1=O.
What is the InChIKey of (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one?
The InChIKey is GQVGXDXMSRRTIC-BGDBZSOXSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-10-11-8-16-9-14(11)12-6-4-2-3-5-7-13(12)15(17)18/h2-7,11,14,16H,8-10H2,1H3/b3-2-,4-2-,5-3-,6-4-,7-5-,12-6+,13-7+.
What are the key properties of (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one?
(1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one has a molecular weight of 242.32 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,10E,12Z,14Z)-8-methyl-4,8-diazatricyclo[8.6.0.02,6]hexadeca-1(16),10,12,14-tetraen-9-one is sourced from PubChem (CID 130316981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).