1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate

C18H20N2O2 — CID 25050290

IUPAC1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate
SMILESO=C(OC1C2CC3CC1CN(C3)C2)c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O2/c21-18(15-7-19-16-4-2-1-3-14(15)16)22-17-12-5-11-6-13(17)10-20(8-11)9-12/h1-4,7,11-13,17,19H,5-6,8-10H2
InChIKeyKRDTWOFRGVMETR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.66
Rot. Bonds2

About 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate

1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate (PubChem CID 25050290) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate
PubChem CID25050290
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate
SMILESO=C(OC1C2CC3CC1CN(C3)C2)c1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2O2/c21-18(15-7-19-16-4-2-1-3-14(15)16)22-17-12-5-11-6-13(17)10-20(8-11)9-12/h1-4,7,11-13,17,19H,5-6,8-10H2
InChIKeyKRDTWOFRGVMETR-UHFFFAOYSA-N
XLogP2.66
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,7R,10R)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
CID 91617591
(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate
CID 15132444
methanesulfonic acid;[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 57330916
[8-(1,1-dideuterioethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 89080474
[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate
CID 23376538
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
2-hydroxypropane-1,2,3-tricarboxylic acid;[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 164512876
sodium 1H-indole-3-carboxylate
CID 23698293
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7117259

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate?
The IUPAC name of 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate (CID 25050290) is 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate.
What is the SMILES notation for 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate?
The canonical SMILES for 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate is O=C(OC1C2CC3CC1CN(C3)C2)c1c[nH]c2ccccc12.
What is the InChIKey of 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate?
The InChIKey is KRDTWOFRGVMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(15-7-19-16-4-2-1-3-14(15)16)22-17-12-5-11-6-13(17)10-20(8-11)9-12/h1-4,7,11-13,17,19H,5-6,8-10H2.
What are the key properties of 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate?
1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate is sourced from PubChem (CID 25050290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).