(1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one

C18H23NO2 — CID 98475276

IUPAC(1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one
SMILESCOc1ccc2c(c1)[C@@]13CCC[C@](C)(C(=O)NC1)[C@H]3CC2
InChIInChI=1S/C18H23NO2/c1-17-8-3-9-18(11-19-16(17)20)14-10-13(21-2)6-4-12(14)5-7-15(17)18/h4,6,10,15H,3,5,7-9,11H2,1-2H3,(H,19,20)/t15-,17+,18-/m1/s1
InChIKeyDDCLVTIOFPHMOP-BPQIPLTHSA-N
MW285.39 g/mol
LogP2.82
Rot. Bonds1

About (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one

(1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one (PubChem CID 98475276) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one.

Molecular Properties

Compound Name(1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one
PubChem CID98475276
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one
SMILESCOc1ccc2c(c1)[C@@]13CCC[C@](C)(C(=O)NC1)[C@H]3CC2
InChIInChI=1S/C18H23NO2/c1-17-8-3-9-18(11-19-16(17)20)14-10-13(21-2)6-4-12(14)5-7-15(17)18/h4,6,10,15H,3,5,7-9,11H2,1-2H3,(H,19,20)/t15-,17+,18-/m1/s1
InChIKeyDDCLVTIOFPHMOP-BPQIPLTHSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one?
The IUPAC name of (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one (CID 98475276) is (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one.
What is the SMILES notation for (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one?
The canonical SMILES for (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one is COc1ccc2c(c1)[C@@]13CCC[C@](C)(C(=O)NC1)[C@H]3CC2.
What is the InChIKey of (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one?
The InChIKey is DDCLVTIOFPHMOP-BPQIPLTHSA-N. The full InChI is InChI=1S/C18H23NO2/c1-17-8-3-9-18(11-19-16(17)20)14-10-13(21-2)6-4-12(14)5-7-15(17)18/h4,6,10,15H,3,5,7-9,11H2,1-2H3,(H,19,20)/t15-,17+,18-/m1/s1.
What are the key properties of (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one?
(1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one has a molecular weight of 285.39 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S,11S)-4-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-one is sourced from PubChem (CID 98475276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).