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

C19H23NO — CID 71559523

IUPAC1-adamantyl(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO/c21-18(20-11-16-3-1-2-4-17(16)12-20)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2
InChIKeyGSTJEWFIXZLJGZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.75
Rot. Bonds1

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

1-adamantyl(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 71559523) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(1,3-dihydroisoindol-2-yl)methanone
PubChem CID71559523
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-adamantyl(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23NO/c21-18(20-11-16-3-1-2-4-17(16)12-20)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2
InChIKeyGSTJEWFIXZLJGZ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-Fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
CID 59336862
11-Benzyl-11-azatetracyclo[6.5.2.0~2,7~.0~9,13~]pentadeca-2,4,6-triene-10,12,14-trione
CID 2832443
1-(3-Phenyladamantane-1-carbonyl)piperidine
CID 2953793
Adamantanyl indolinyl ketone
CID 3579176
N-benzyladamantane-1-carboxamide
CID 3826889
N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide
CID 18411849
1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone
CID 71559524
1-Adamantyl-(4-methyl-2,3-dihydroindol-1-yl)methanone
CID 71559525
1-Adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 71559638
1-Benzyl-4-phenylpyrrolidin-2-one
CID 2843346
Adamantanyl 4-benzylpiperazinyl ketone
CID 2998753
2-benzylhexahydro-1H-isoindole-1,3(2H)-dione
CID 3107627

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone (CID 71559523) is 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone is O=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is GSTJEWFIXZLJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c21-18(20-11-16-3-1-2-4-17(16)12-20)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2.
What are the key properties of 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone?
1-adamantyl(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 281.40 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 71559523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).