2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone

C19H23NO2 — CID 71719542

IUPAC2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone
SMILESO=C(N1CCc2ccccc21)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C19H23NO2/c21-17(20-6-5-15-3-1-2-4-16(15)20)18-8-13-7-14(9-18)11-19(22,10-13)12-18/h1-4,13-14,22H,5-12H2
InChIKeyZYYJHMAXCTYOMG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.91
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone

2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone (PubChem CID 71719542) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone
PubChem CID71719542
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone
SMILESO=C(N1CCc2ccccc21)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C19H23NO2/c21-17(20-6-5-15-3-1-2-4-16(15)20)18-8-13-7-14(9-18)11-19(22,10-13)12-18/h1-4,13-14,22H,5-12H2
InChIKeyZYYJHMAXCTYOMG-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone (CID 71719542) is 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone is O=C(N1CCc2ccccc21)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone?
The InChIKey is ZYYJHMAXCTYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-17(20-6-5-15-3-1-2-4-16(15)20)18-8-13-7-14(9-18)11-19(22,10-13)12-18/h1-4,13-14,22H,5-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone?
2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(3-hydroxy-1-adamantyl)methanone is sourced from PubChem (CID 71719542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).