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

C19H23NO — CID 3579176

IUPAC1-adamantyl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO/c21-18(20-6-5-16-3-1-2-4-17(16)20)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2
InChIKeyPUOVTWNUSGOYMF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.79
Rot. Bonds1

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

1-adamantyl(2,3-dihydroindol-1-yl)methanone (PubChem CID 3579176) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-adamantyl(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(2,3-dihydroindol-1-yl)methanone
PubChem CID3579176
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-adamantyl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO/c21-18(20-6-5-16-3-1-2-4-17(16)20)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2
InChIKeyPUOVTWNUSGOYMF-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 1-adamantyl(2,3-dihydroindol-1-yl)methanone (CID 3579176) is 1-adamantyl(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 1-adamantyl(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 1-adamantyl(2,3-dihydroindol-1-yl)methanone is O=C(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(2,3-dihydroindol-1-yl)methanone?
The InChIKey is PUOVTWNUSGOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c21-18(20-6-5-16-3-1-2-4-17(16)20)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2.
What are the key properties of 1-adamantyl(2,3-dihydroindol-1-yl)methanone?
1-adamantyl(2,3-dihydroindol-1-yl)methanone has a molecular weight of 281.40 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3579176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).