(1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one

C16H19NO3 — CID 6572073

IUPAC(1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
SMILESC[C@@H]1OC(=O)[C@H]2[C@H]1N1CCc3ccccc3[C@H]1C[C@H]2O
InChIInChI=1S/C16H19NO3/c1-9-15-14(16(19)20-9)13(18)8-12-11-5-3-2-4-10(11)6-7-17(12)15/h2-5,9,12-15,18H,6-8H2,1H3/t9-,12+,13+,14+,15-/m0/s1
InChIKeyMPEJFJFZVUSBET-BGJHODNPSA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds

About (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one

(1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one (PubChem CID 6572073) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one.

Molecular Properties

Compound Name(1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
PubChem CID6572073
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
SMILESC[C@@H]1OC(=O)[C@H]2[C@H]1N1CCc3ccccc3[C@H]1C[C@H]2O
InChIInChI=1S/C16H19NO3/c1-9-15-14(16(19)20-9)13(18)8-12-11-5-3-2-4-10(11)6-7-17(12)15/h2-5,9,12-15,18H,6-8H2,1H3/t9-,12+,13+,14+,15-/m0/s1
InChIKeyMPEJFJFZVUSBET-BGJHODNPSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,11R,12S,15R,16S)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
CID 92508924
(1S,11R,12R,15S)-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
CID 51414254
(1S,11S,12S,15R)-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
CID 124540317
(1S,11S,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azoniatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one
CID 7078085
(2R,4S,11bS)-4-phenyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 155511171
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
(1S,12S)-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-14-one
CID 7091393
methyl (1S,2R)-2-methyl-4-oxo-2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinoline-1-carboxylate
CID 10612437
3,5-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one;ethane
CID 90705389
(6S,11bR)-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 125486895
(4S,10R)-4-methyl-5-oxa-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraen-6-one
CID 933532
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166

Frequently Asked Questions

What is the IUPAC name of (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The IUPAC name of (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one (CID 6572073) is (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one.
What is the SMILES notation for (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The canonical SMILES for (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one is C[C@@H]1OC(=O)[C@H]2[C@H]1N1CCc3ccccc3[C@H]1C[C@H]2O.
What is the InChIKey of (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
The InChIKey is MPEJFJFZVUSBET-BGJHODNPSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-15-14(16(19)20-9)13(18)8-12-11-5-3-2-4-10(11)6-7-17(12)15/h2-5,9,12-15,18H,6-8H2,1H3/t9-,12+,13+,14+,15-/m0/s1.
What are the key properties of (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one?
(1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one has a molecular weight of 273.33 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R,12S,15S,16R)-16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one is sourced from PubChem (CID 6572073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).