(9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol

C18H23NO2 — CID 121371828

IUPAC(9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol
SMILESCC[C@@H]1Cc2c(oc3ccc(O)cc23)CCC2CCCN21
InChIInChI=1S/C18H23NO2/c1-2-12-10-15-16-11-14(20)6-8-18(16)21-17(15)7-5-13-4-3-9-19(12)13/h6,8,11-13,20H,2-5,7,9-10H2,1H3/t12-,13?/m1/s1
InChIKeySOLXNNJYJZUQON-PZORYLMUSA-N
MW285.39 g/mol
LogP3.87
Rot. Bonds1

About (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol

(9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol (PubChem CID 121371828) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol.

Molecular Properties

Compound Name(9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol
PubChem CID121371828
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol
SMILESCC[C@@H]1Cc2c(oc3ccc(O)cc23)CCC2CCCN21
InChIInChI=1S/C18H23NO2/c1-2-12-10-15-16-11-14(20)6-8-18(16)21-17(15)7-5-13-4-3-9-19(12)13/h6,8,11-13,20H,2-5,7,9-10H2,1H3/t12-,13?/m1/s1
InChIKeySOLXNNJYJZUQON-PZORYLMUSA-N
XLogP3.87
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol?
The IUPAC name of (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol (CID 121371828) is (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol.
What is the SMILES notation for (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol?
The canonical SMILES for (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol is CC[C@@H]1Cc2c(oc3ccc(O)cc23)CCC2CCCN21.
What is the InChIKey of (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol?
The InChIKey is SOLXNNJYJZUQON-PZORYLMUSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-12-10-15-16-11-14(20)6-8-18(16)21-17(15)7-5-13-4-3-9-19(12)13/h6,8,11-13,20H,2-5,7,9-10H2,1H3/t12-,13?/m1/s1.
What are the key properties of (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol?
(9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol has a molecular weight of 285.39 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-ethyl-18-oxa-8-azatetracyclo[9.7.0.04,8.012,17]octadeca-1(11),12(17),13,15-tetraen-14-ol is sourced from PubChem (CID 121371828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).