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

C19H23NO — CID 71559641

IUPAC2-adamantyl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc21
InChIInChI=1S/C19H23NO/c21-19(20-6-5-14-3-1-2-4-17(14)20)18-15-8-12-7-13(10-15)11-16(18)9-12/h1-4,12-13,15-16,18H,5-11H2
InChIKeyRTHRVYFSGYJUOV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.65
Rot. Bonds1

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

2-adamantyl(2,3-dihydroindol-1-yl)methanone (PubChem CID 71559641) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-adamantyl(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name2-adamantyl(2,3-dihydroindol-1-yl)methanone
PubChem CID71559641
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-adamantyl(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc21
InChIInChI=1S/C19H23NO/c21-19(20-6-5-14-3-1-2-4-17(14)20)18-15-8-12-7-13(10-15)11-16(18)9-12/h1-4,12-13,15-16,18H,5-11H2
InChIKeyRTHRVYFSGYJUOV-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 2-adamantyl(2,3-dihydroindol-1-yl)methanone (CID 71559641) is 2-adamantyl(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 2-adamantyl(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 2-adamantyl(2,3-dihydroindol-1-yl)methanone is O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc21.
What is the InChIKey of 2-adamantyl(2,3-dihydroindol-1-yl)methanone?
The InChIKey is RTHRVYFSGYJUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c21-19(20-6-5-14-3-1-2-4-17(14)20)18-15-8-12-7-13(10-15)11-16(18)9-12/h1-4,12-13,15-16,18H,5-11H2.
What are the key properties of 2-adamantyl(2,3-dihydroindol-1-yl)methanone?
2-adamantyl(2,3-dihydroindol-1-yl)methanone has a molecular weight of 281.40 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 71559641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).