14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one

C22H15NO — CID 15980865

IUPAC14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
SMILESC=Cc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1
InChIInChI=1S/C22H15NO/c1-2-15-8-9-17-10-11-21-20(22(24)19(17)12-15)13-18(14-23-21)16-6-4-3-5-7-16/h2-14H,1H2
InChIKeyLNNBWKZKODMOHP-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.06
Rot. Bonds2

About 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one

14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one (PubChem CID 15980865) has the molecular formula C22H15NO and a molecular weight of 309.37 g/mol. Its IUPAC name is 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one.

Molecular Properties

Compound Name14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
PubChem CID15980865
Molecular FormulaC22H15NO
Molecular Weight309.37 g/mol
Exact Mass309.12
IUPAC Name14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
SMILESC=Cc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1
InChIInChI=1S/C22H15NO/c1-2-15-8-9-17-10-11-21-20(22(24)19(17)12-15)13-18(14-23-21)16-6-4-3-5-7-16/h2-14H,1H2
InChIKeyLNNBWKZKODMOHP-UHFFFAOYSA-N
XLogP5.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one?
The IUPAC name of 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one (CID 15980865) is 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one.
What is the SMILES notation for 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one?
The canonical SMILES for 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one is C=Cc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1.
What is the InChIKey of 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one?
The InChIKey is LNNBWKZKODMOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO/c1-2-15-8-9-17-10-11-21-20(22(24)19(17)12-15)13-18(14-23-21)16-6-4-3-5-7-16/h2-14H,1H2.
What are the key properties of 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one?
14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one has a molecular weight of 309.37 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethenyl-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one is sourced from PubChem (CID 15980865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).