1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one

C23H30N2O2 — CID 71695950

IUPAC1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one
SMILESCn1cc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2ccccc21
InChIInChI=1S/C23H30N2O2/c1-22(2,19-14-24(3)20-7-5-4-6-18(19)20)13-21(26)25-16-8-15-9-17(25)12-23(27,10-15)11-16/h4-7,14-17,27H,8-13H2,1-3H3
InChIKeyOAFHZJLYCZKZNP-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.75
Rot. Bonds3

About 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one

1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one (PubChem CID 71695950) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one
PubChem CID71695950
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one
SMILESCn1cc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2ccccc21
InChIInChI=1S/C23H30N2O2/c1-22(2,19-14-24(3)20-7-5-4-6-18(19)20)13-21(26)25-16-8-15-9-17(25)12-23(27,10-15)11-16/h4-7,14-17,27H,8-13H2,1-3H3
InChIKeyOAFHZJLYCZKZNP-UHFFFAOYSA-N
XLogP3.75
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one?
The IUPAC name of 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one (CID 71695950) is 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one.
What is the SMILES notation for 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one?
The canonical SMILES for 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one is Cn1cc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2ccccc21.
What is the InChIKey of 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one?
The InChIKey is OAFHZJLYCZKZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-22(2,19-14-24(3)20-7-5-4-6-18(19)20)13-21(26)25-16-8-15-9-17(25)12-23(27,10-15)11-16/h4-7,14-17,27H,8-13H2,1-3H3.
What are the key properties of 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one?
1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one has a molecular weight of 366.50 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methyl-3-(1-methylindol-3-yl)butan-1-one is sourced from PubChem (CID 71695950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).