(11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene

C19H17NO2 — CID 6975620

IUPAC(11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
SMILESc1coc([C@H]2Nc3c(ccc4ccccc34)[C@@H]3OCC[C@@H]23)c1
InChIInChI=1S/C19H17NO2/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/h1-8,10,15,18-20H,9,11H2/t15-,18-,19-/m0/s1
InChIKeyMTKYIPYNZIGFMJ-SNRMKQJTSA-N
MW291.35 g/mol
LogP4.68
Rot. Bonds1

About (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene

(11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene (PubChem CID 6975620) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name(11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
PubChem CID6975620
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene
SMILESc1coc([C@H]2Nc3c(ccc4ccccc34)[C@@H]3OCC[C@@H]23)c1
InChIInChI=1S/C19H17NO2/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/h1-8,10,15,18-20H,9,11H2/t15-,18-,19-/m0/s1
InChIKeyMTKYIPYNZIGFMJ-SNRMKQJTSA-N
XLogP4.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene?
The IUPAC name of (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene (CID 6975620) is (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene?
The canonical SMILES for (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene is c1coc([C@H]2Nc3c(ccc4ccccc34)[C@@H]3OCC[C@@H]23)c1.
What is the InChIKey of (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene?
The InChIKey is MTKYIPYNZIGFMJ-SNRMKQJTSA-N. The full InChI is InChI=1S/C19H17NO2/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/h1-8,10,15,18-20H,9,11H2/t15-,18-,19-/m0/s1.
What are the key properties of (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene?
(11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene has a molecular weight of 291.35 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15S,16S)-16-(furan-2-yl)-12-oxa-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 6975620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).