(4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]

C19H19NO2 — CID 102036909

IUPAC(4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]
SMILESCc1ccc2c(c1)Oc1ccccc1N1C[C@@]3(CCCO3)[C@H]21
InChIInChI=1S/C19H19NO2/c1-13-7-8-14-17(11-13)22-16-6-3-2-5-15(16)20-12-19(18(14)20)9-4-10-21-19/h2-3,5-8,11,18H,4,9-10,12H2,1H3/t18-,19-/m0/s1
InChIKeyAAZGURSXUCJPQE-OALUTQOASA-N
MW293.37 g/mol
LogP4.21
Rot. Bonds

About (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]

(4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane] (PubChem CID 102036909) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane].

Molecular Properties

Compound Name(4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]
PubChem CID102036909
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]
SMILESCc1ccc2c(c1)Oc1ccccc1N1C[C@@]3(CCCO3)[C@H]21
InChIInChI=1S/C19H19NO2/c1-13-7-8-14-17(11-13)22-16-6-3-2-5-15(16)20-12-19(18(14)20)9-4-10-21-19/h2-3,5-8,11,18H,4,9-10,12H2,1H3/t18-,19-/m0/s1
InChIKeyAAZGURSXUCJPQE-OALUTQOASA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]?
The IUPAC name of (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane] (CID 102036909) is (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane].
What is the SMILES notation for (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]?
The canonical SMILES for (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane] is Cc1ccc2c(c1)Oc1ccccc1N1C[C@@]3(CCCO3)[C@H]21.
What is the InChIKey of (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]?
The InChIKey is AAZGURSXUCJPQE-OALUTQOASA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-7-8-14-17(11-13)22-16-6-3-2-5-15(16)20-12-19(18(14)20)9-4-10-21-19/h2-3,5-8,11,18H,4,9-10,12H2,1H3/t18-,19-/m0/s1.
What are the key properties of (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane]?
(4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane] has a molecular weight of 293.37 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-9-methylspiro[12-oxa-2-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-4,2'-oxolane] is sourced from PubChem (CID 102036909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).