(13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol

C16H19NO3 — CID 71209941

IUPAC(13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol
SMILESCOc1cc(C)c2c3c1OC1C[C@@H](O)C=CC31CCN2
InChIInChI=1S/C16H19NO3/c1-9-7-11(19-2)15-13-14(9)17-6-5-16(13)4-3-10(18)8-12(16)20-15/h3-4,7,10,12,17-18H,5-6,8H2,1-2H3/t10-,12?,16?/m0/s1
InChIKeyWKAAVLBZKNFPDN-LWOUBBNUSA-N
MW273.33 g/mol
LogP2.14
Rot. Bonds1

About (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol

(13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol (PubChem CID 71209941) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol.

Molecular Properties

Compound Name(13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol
PubChem CID71209941
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol
SMILESCOc1cc(C)c2c3c1OC1C[C@@H](O)C=CC31CCN2
InChIInChI=1S/C16H19NO3/c1-9-7-11(19-2)15-13-14(9)17-6-5-16(13)4-3-10(18)8-12(16)20-15/h3-4,7,10,12,17-18H,5-6,8H2,1-2H3/t10-,12?,16?/m0/s1
InChIKeyWKAAVLBZKNFPDN-LWOUBBNUSA-N
XLogP2.14
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol?
The IUPAC name of (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol (CID 71209941) is (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol.
What is the SMILES notation for (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol?
The canonical SMILES for (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol is COc1cc(C)c2c3c1OC1C[C@@H](O)C=CC31CCN2.
What is the InChIKey of (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol?
The InChIKey is WKAAVLBZKNFPDN-LWOUBBNUSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-7-11(19-2)15-13-14(9)17-6-5-16(13)4-3-10(18)8-12(16)20-15/h3-4,7,10,12,17-18H,5-6,8H2,1-2H3/t10-,12?,16?/m0/s1.
What are the key properties of (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol?
(13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol has a molecular weight of 273.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-8-methoxy-6-methyl-10-oxa-4-azatetracyclo[7.6.1.01,11.05,16]hexadeca-5(16),6,8,14-tetraen-13-ol is sourced from PubChem (CID 71209941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).