(11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene

C19H21NO2 — CID 155534050

IUPAC(11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene
SMILESc1coc([C@H]2Nc3c(ccc4c3CCCC4)[C@@H]3OCC[C@H]23)c1
InChIInChI=1S/C19H21NO2/c1-2-5-13-12(4-1)7-8-14-17(13)20-18(16-6-3-10-21-16)15-9-11-22-19(14)15/h3,6-8,10,15,18-20H,1-2,4-5,9,11H2/t15-,18+,19+/m1/s1
InChIKeyCGIFNWNADUDPFW-MNEFBYGVSA-N
MW295.38 g/mol
LogP4.40
Rot. Bonds1

About (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene

(11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene (PubChem CID 155534050) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene.

Molecular Properties

Compound Name(11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene
PubChem CID155534050
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene
SMILESc1coc([C@H]2Nc3c(ccc4c3CCCC4)[C@@H]3OCC[C@H]23)c1
InChIInChI=1S/C19H21NO2/c1-2-5-13-12(4-1)7-8-14-17(13)20-18(16-6-3-10-21-16)15-9-11-22-19(14)15/h3,6-8,10,15,18-20H,1-2,4-5,9,11H2/t15-,18+,19+/m1/s1
InChIKeyCGIFNWNADUDPFW-MNEFBYGVSA-N
XLogP4.40
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene?
The IUPAC name of (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene (CID 155534050) is (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene.
What is the SMILES notation for (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene?
The canonical SMILES for (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene is c1coc([C@H]2Nc3c(ccc4c3CCCC4)[C@@H]3OCC[C@H]23)c1.
What is the InChIKey of (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene?
The InChIKey is CGIFNWNADUDPFW-MNEFBYGVSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-5-13-12(4-1)7-8-14-17(13)20-18(16-6-3-10-21-16)15-9-11-22-19(14)15/h3,6-8,10,15,18-20H,1-2,4-5,9,11H2/t15-,18+,19+/m1/s1.
What are the key properties of (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene?
(11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene has a molecular weight of 295.38 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15R,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene is sourced from PubChem (CID 155534050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).