1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone

C20H25NO — CID 90022765

IUPAC1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone
SMILESCc1cccc2c1C(C(=O)C13CC4CC(CC(C4)C1)C3)CN2
InChIInChI=1S/C20H25NO/c1-12-3-2-4-17-18(12)16(11-21-17)19(22)20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-16,21H,5-11H2,1H3
InChIKeyUPNHXBPTYSCKNL-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.29
Rot. Bonds2

About 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone

1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone (PubChem CID 90022765) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone
PubChem CID90022765
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone
SMILESCc1cccc2c1C(C(=O)C13CC4CC(CC(C4)C1)C3)CN2
InChIInChI=1S/C20H25NO/c1-12-3-2-4-17-18(12)16(11-21-17)19(22)20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-16,21H,5-11H2,1H3
InChIKeyUPNHXBPTYSCKNL-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone?
The IUPAC name of 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone (CID 90022765) is 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone.
What is the SMILES notation for 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone?
The canonical SMILES for 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone is Cc1cccc2c1C(C(=O)C13CC4CC(CC(C4)C1)C3)CN2.
What is the InChIKey of 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone?
The InChIKey is UPNHXBPTYSCKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-12-3-2-4-17-18(12)16(11-21-17)19(22)20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-16,21H,5-11H2,1H3.
What are the key properties of 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone?
1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-methyl-2,3-dihydro-1H-indol-3-yl)methanone is sourced from PubChem (CID 90022765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).