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

C19H22N2O — CID 155527126

IUPAC(11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene
SMILESc1coc([C@@H]2Nc3c(ccc4c3CCCC4)[C@@H]3NCC[C@H]23)c1
InChIInChI=1S/C19H22N2O/c1-2-5-13-12(4-1)7-8-14-17-15(9-10-20-17)19(21-18(13)14)16-6-3-11-22-16/h3,6-8,11,15,17,19-21H,1-2,4-5,9-10H2/t15-,17-,19+/m0/s1
InChIKeyKKEWEWSIAZXTEF-VDZJLULYSA-N
MW294.40 g/mol
LogP3.98
Rot. Bonds1

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

(11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene (PubChem CID 155527126) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene.

Molecular Properties

Compound Name(11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene
PubChem CID155527126
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene
SMILESc1coc([C@@H]2Nc3c(ccc4c3CCCC4)[C@@H]3NCC[C@H]23)c1
InChIInChI=1S/C19H22N2O/c1-2-5-13-12(4-1)7-8-14-17-15(9-10-20-17)19(21-18(13)14)16-6-3-11-22-16/h3,6-8,11,15,17,19-21H,1-2,4-5,9-10H2/t15-,17-,19+/m0/s1
InChIKeyKKEWEWSIAZXTEF-VDZJLULYSA-N
XLogP3.98
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[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,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene?
The IUPAC name of (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene (CID 155527126) is (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene.
What is the SMILES notation for (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene?
The canonical SMILES for (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene is c1coc([C@@H]2Nc3c(ccc4c3CCCC4)[C@@H]3NCC[C@H]23)c1.
What is the InChIKey of (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene?
The InChIKey is KKEWEWSIAZXTEF-VDZJLULYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-5-13-12(4-1)7-8-14-17-15(9-10-20-17)19(21-18(13)14)16-6-3-11-22-16/h3,6-8,11,15,17,19-21H,1-2,4-5,9-10H2/t15-,17-,19+/m0/s1.
What are the key properties of (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene?
(11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene has a molecular weight of 294.40 g/mol, XLogP of 3.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11R,15S,16R)-16-(furan-2-yl)-12,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8-triene is sourced from PubChem (CID 155527126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).