1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone

C21H27NO — CID 71559524

IUPAC1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone
SMILESCC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C21H27NO/c1-20(2)13-22(18-6-4-3-5-17(18)20)19(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3
InChIKeyZLQWPOMATSXNAY-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.53
Rot. Bonds1

About 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone

1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone (PubChem CID 71559524) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone
PubChem CID71559524
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone
SMILESCC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C21H27NO/c1-20(2)13-22(18-6-4-3-5-17(18)20)19(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3
InChIKeyZLQWPOMATSXNAY-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

DR-4004
CID 9843179
N-Ethyloxindole
CID 66135
2-(2-ethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 2872879
cyclohexyl(2,3-dihydro-1H-indol-1-yl)methanone
CID 701901
1-[1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)piperidin-4-yl]-3H-indol-2-one
CID 49843739
1-(2,3-dihydro-1H-indol-1-yl)-2-phenylethanone
CID 740883
1-(2,3-Dihydroindol-1-yl)-4-phenylbutan-1-one
CID 807668
Adamantan-1-yl-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 2851184
Adamantanyl indolinyl ketone
CID 3579176
3-ethyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 9799433
1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-dihydro-indol-2-one
CID 10042904
1-[1-(Decahydro-naphthalen-1-yl)-piperidin-4-yl]-1,3-dihydro-indol-2-one
CID 11164004

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone?
The IUPAC name of 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone (CID 71559524) is 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone is CC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone?
The InChIKey is ZLQWPOMATSXNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-20(2)13-22(18-6-4-3-5-17(18)20)19(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3.
What are the key properties of 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone?
1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone has a molecular weight of 309.45 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(3,3-dimethyl-2H-indol-1-yl)methanone is sourced from PubChem (CID 71559524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).