(1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

C17H21NO3 — CID 13145936

IUPAC(1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
SMILESCN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1cccc(O)c13
InChIInChI=1S/C17H21NO3/c1-18-8-7-16-10-12(19)5-6-17(16,21)14(18)9-11-3-2-4-13(20)15(11)16/h2-4,14,20-21H,5-10H2,1H3/t14-,16-,17-/m1/s1
InChIKeyGYMBGGQAAJAPFL-DJIMGWMZSA-N
MW287.36 g/mol
LogP1.37
Rot. Bonds

About (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

(1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one (PubChem CID 13145936) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one.

Molecular Properties

Compound Name(1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
PubChem CID13145936
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
SMILESCN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1cccc(O)c13
InChIInChI=1S/C17H21NO3/c1-18-8-7-16-10-12(19)5-6-17(16,21)14(18)9-11-3-2-4-13(20)15(11)16/h2-4,14,20-21H,5-10H2,1H3/t14-,16-,17-/m1/s1
InChIKeyGYMBGGQAAJAPFL-DJIMGWMZSA-N
XLogP1.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-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

Samidorphan
CID 11667832
Cyprodime
CID 5748293
Morphinan-6-one, 3,4-dimethoxy-14-hydroxy-17-methyl-
CID 5492831
17-(Cyclopropylmethyl)-3,14-dihydroxymorphinan-6-one
CID 5493351
4,14-Dihydroxy-3-methoxy-17-methylmorphinan-6-one
CID 5492895
14-hydroxy-6-keto-N-methylmorphinan
CID 13145934
14-Hydroxy-4-methoxy-N-methylmorphinan-6-one
CID 13145938
(1R,9R,10S)-3-hydroxy-10-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 13559314
(1R,9R,10S)-3,10-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 13559317
(1R,9R,10S)-17-(cyclobutylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
CID 44401457
(1R,9R,10S)-3-hydroxy-4,10-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 46877807
Quadazocine
CID 24847760

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?
The IUPAC name of (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one (CID 13145936) is (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one.
What is the SMILES notation for (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?
The canonical SMILES for (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one is CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1cccc(O)c13.
What is the InChIKey of (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?
The InChIKey is GYMBGGQAAJAPFL-DJIMGWMZSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18-8-7-16-10-12(19)5-6-17(16,21)14(18)9-11-3-2-4-13(20)15(11)16/h2-4,14,20-21H,5-10H2,1H3/t14-,16-,17-/m1/s1.
What are the key properties of (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one?
(1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one has a molecular weight of 287.36 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10S)-3,10-dihydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one is sourced from PubChem (CID 13145936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).