1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone

C20H25NO — CID 71559638

IUPAC1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2
InChIInChI=1S/C20H25NO/c1-13-3-2-4-17-5-6-21(18(13)17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3
InChIKeyPOGKSHDEBWTDPB-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.10
Rot. Bonds1

About 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone

1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 71559638) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID71559638
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2
InChIInChI=1S/C20H25NO/c1-13-3-2-4-17-5-6-21(18(13)17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3
InChIKeyPOGKSHDEBWTDPB-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone (CID 71559638) is 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cccc2c1N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2.
What is the InChIKey of 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is POGKSHDEBWTDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-13-3-2-4-17-5-6-21(18(13)17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3.
What are the key properties of 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone?
1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(7-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 71559638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).