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

C18H21NO — CID 25015974

IUPAC(1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESc1ccc2c(c1)C[C@H]1CC[C@H](C2)N(Cc2ccoc2)C1
InChIInChI=1S/C18H21NO/c1-2-4-17-10-18-6-5-14(9-16(17)3-1)11-19(18)12-15-7-8-20-13-15/h1-4,7-8,13-14,18H,5-6,9-12H2/t14-,18-/m1/s1
InChIKeyNFAJVGGLAZTXAN-RDTXWAMCSA-N
MW267.37 g/mol
LogP3.66
Rot. Bonds2

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

(1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (PubChem CID 25015974) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name(1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
PubChem CID25015974
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESc1ccc2c(c1)C[C@H]1CC[C@H](C2)N(Cc2ccoc2)C1
InChIInChI=1S/C18H21NO/c1-2-4-17-10-18-6-5-14(9-16(17)3-1)11-19(18)12-15-7-8-20-13-15/h1-4,7-8,13-14,18H,5-6,9-12H2/t14-,18-/m1/s1
InChIKeyNFAJVGGLAZTXAN-RDTXWAMCSA-N
XLogP3.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The IUPAC name of (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (CID 25015974) is (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is c1ccc2c(c1)C[C@H]1CC[C@H](C2)N(Cc2ccoc2)C1.
What is the InChIKey of (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The InChIKey is NFAJVGGLAZTXAN-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-4-17-10-18-6-5-14(9-16(17)3-1)11-19(18)12-15-7-8-20-13-15/h1-4,7-8,13-14,18H,5-6,9-12H2/t14-,18-/m1/s1.
What are the key properties of (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
(1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene has a molecular weight of 267.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 25015974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).