(2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene

C20H23NO2 — CID 155512021

IUPAC(2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene
SMILESc1coc([C@H]2Nc3c(ccc4c3CCCC4)[C@@H]3OCCC[C@H]23)c1
InChIInChI=1S/C20H23NO2/c1-2-6-14-13(5-1)9-10-16-18(14)21-19(17-8-4-11-22-17)15-7-3-12-23-20(15)16/h4,8-11,15,19-21H,1-3,5-7,12H2/t15-,19+,20-/m1/s1
InChIKeyXMWHFJAOACPYRI-UIAACRFSSA-N
MW309.41 g/mol
LogP4.79
Rot. Bonds1

About (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene

(2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene (PubChem CID 155512021) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene.

Molecular Properties

Compound Name(2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene
PubChem CID155512021
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene
SMILESc1coc([C@H]2Nc3c(ccc4c3CCCC4)[C@@H]3OCCC[C@H]23)c1
InChIInChI=1S/C20H23NO2/c1-2-6-14-13(5-1)9-10-16-18(14)21-19(17-8-4-11-22-17)15-7-3-12-23-20(15)16/h4,8-11,15,19-21H,1-3,5-7,12H2/t15-,19+,20-/m1/s1
InChIKeyXMWHFJAOACPYRI-UIAACRFSSA-N
XLogP4.79
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene?
The IUPAC name of (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene (CID 155512021) is (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene.
What is the SMILES notation for (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene?
The canonical SMILES for (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene is c1coc([C@H]2Nc3c(ccc4c3CCCC4)[C@@H]3OCCC[C@H]23)c1.
What is the InChIKey of (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene?
The InChIKey is XMWHFJAOACPYRI-UIAACRFSSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-6-14-13(5-1)9-10-16-18(14)21-19(17-8-4-11-22-17)15-7-3-12-23-20(15)16/h4,8-11,15,19-21H,1-3,5-7,12H2/t15-,19+,20-/m1/s1.
What are the key properties of (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene?
(2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene has a molecular weight of 309.41 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R,8S)-8-(furan-2-yl)-3-oxa-9-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),11(16),17-triene is sourced from PubChem (CID 155512021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).