(1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

C22H24N2 — CID 25018042

IUPAC(1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESc1ccc2c(c1)C[C@H]1CC[C@H](C2)N(Cc2cccc3cc[nH]c23)C1
InChIInChI=1S/C22H24N2/c1-2-5-19-13-21-9-8-16(12-18(19)4-1)14-24(21)15-20-7-3-6-17-10-11-23-22(17)20/h1-7,10-11,16,21,23H,8-9,12-15H2/t16-,21-/m1/s1
InChIKeyALYRXFMQDXIQBM-IIBYNOLFSA-N
MW316.45 g/mol
LogP4.55
Rot. Bonds2

About (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

(1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (PubChem CID 25018042) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name(1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
PubChem CID25018042
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name(1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESc1ccc2c(c1)C[C@H]1CC[C@H](C2)N(Cc2cccc3cc[nH]c23)C1
InChIInChI=1S/C22H24N2/c1-2-5-19-13-21-9-8-16(12-18(19)4-1)14-24(21)15-20-7-3-6-17-10-11-23-22(17)20/h1-7,10-11,16,21,23H,8-9,12-15H2/t16-,21-/m1/s1
InChIKeyALYRXFMQDXIQBM-IIBYNOLFSA-N
XLogP4.55
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The IUPAC name of (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (CID 25018042) is (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is c1ccc2c(c1)C[C@H]1CC[C@H](C2)N(Cc2cccc3cc[nH]c23)C1.
What is the InChIKey of (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The InChIKey is ALYRXFMQDXIQBM-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-5-19-13-21-9-8-16(12-18(19)4-1)14-24(21)15-20-7-3-6-17-10-11-23-22(17)20/h1-7,10-11,16,21,23H,8-9,12-15H2/t16-,21-/m1/s1.
What are the key properties of (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
(1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene has a molecular weight of 316.45 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 25018042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).