8-anilinotricyclo[4.2.1.03,7]nonan-3-ol

C15H19NO — CID 564858

IUPAC8-anilinotricyclo[4.2.1.03,7]nonan-3-ol
SMILESOC12CCC3CC(C1)C(Nc1ccccc1)C32
InChIInChI=1S/C15H19NO/c17-15-7-6-10-8-11(9-15)14(13(10)15)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16-17H,6-9H2
InChIKeyRGHKHBGVOWIFHN-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.65
Rot. Bonds2

About 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol

8-anilinotricyclo[4.2.1.03,7]nonan-3-ol (PubChem CID 564858) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol.

Molecular Properties

Compound Name8-anilinotricyclo[4.2.1.03,7]nonan-3-ol
PubChem CID564858
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name8-anilinotricyclo[4.2.1.03,7]nonan-3-ol
SMILESOC12CCC3CC(C1)C(Nc1ccccc1)C32
InChIInChI=1S/C15H19NO/c17-15-7-6-10-8-11(9-15)14(13(10)15)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16-17H,6-9H2
InChIKeyRGHKHBGVOWIFHN-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol?
The IUPAC name of 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol (CID 564858) is 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol.
What is the SMILES notation for 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol?
The canonical SMILES for 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol is OC12CCC3CC(C1)C(Nc1ccccc1)C32.
What is the InChIKey of 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol?
The InChIKey is RGHKHBGVOWIFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-7-6-10-8-11(9-15)14(13(10)15)16-12-4-2-1-3-5-12/h1-5,10-11,13-14,16-17H,6-9H2.
What are the key properties of 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol?
8-anilinotricyclo[4.2.1.03,7]nonan-3-ol has a molecular weight of 229.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilinotricyclo[4.2.1.03,7]nonan-3-ol is sourced from PubChem (CID 564858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).