9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one

C23H19NO — CID 15832025

IUPAC9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one
SMILESO=C1C2=CCCC1c1ccccc1NC2c1ccc2ccccc2c1
InChIInChI=1S/C23H19NO/c25-23-19-9-5-10-20(23)22(24-21-11-4-3-8-18(19)21)17-13-12-15-6-1-2-7-16(15)14-17/h1-4,6-8,10-14,19,22,24H,5,9H2
InChIKeyCGUYWROUGNELAB-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.38
Rot. Bonds1

About 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one

9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one (PubChem CID 15832025) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one.

Molecular Properties

Compound Name9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one
PubChem CID15832025
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one
SMILESO=C1C2=CCCC1c1ccccc1NC2c1ccc2ccccc2c1
InChIInChI=1S/C23H19NO/c25-23-19-9-5-10-20(23)22(24-21-11-4-3-8-18(19)21)17-13-12-15-6-1-2-7-16(15)14-17/h1-4,6-8,10-14,19,22,24H,5,9H2
InChIKeyCGUYWROUGNELAB-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one?
The IUPAC name of 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one (CID 15832025) is 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one.
What is the SMILES notation for 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one?
The canonical SMILES for 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one is O=C1C2=CCCC1c1ccccc1NC2c1ccc2ccccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one?
The InChIKey is CGUYWROUGNELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c25-23-19-9-5-10-20(23)22(24-21-11-4-3-8-18(19)21)17-13-12-15-6-1-2-7-16(15)14-17/h1-4,6-8,10-14,19,22,24H,5,9H2.
What are the key properties of 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one?
9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one has a molecular weight of 325.41 g/mol, XLogP of 5.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-8-azatricyclo[8.3.1.02,7]tetradeca-2,4,6,10-tetraen-14-one is sourced from PubChem (CID 15832025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).