(1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one

C12H19NO3 — CID 102572723

IUPAC(1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one
SMILESCO[C@H]1CC2[C@@H](CCCN3C(=O)CC[C@@H]23)O1
InChIInChI=1S/C12H19NO3/c1-15-12-7-8-9-4-5-11(14)13(9)6-2-3-10(8)16-12/h8-10,12H,2-7H2,1H3/t8?,9-,10+,12+/m0/s1
InChIKeyFZHUHJWAEYAHEM-CATGTTOSSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds1

About (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one

(1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one (PubChem CID 102572723) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one.

Molecular Properties

Compound Name(1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one
PubChem CID102572723
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one
SMILESCO[C@H]1CC2[C@@H](CCCN3C(=O)CC[C@@H]23)O1
InChIInChI=1S/C12H19NO3/c1-15-12-7-8-9-4-5-11(14)13(9)6-2-3-10(8)16-12/h8-10,12H,2-7H2,1H3/t8?,9-,10+,12+/m0/s1
InChIKeyFZHUHJWAEYAHEM-CATGTTOSSA-N
XLogP1.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one?
The IUPAC name of (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one (CID 102572723) is (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one.
What is the SMILES notation for (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one?
The canonical SMILES for (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one is CO[C@H]1CC2[C@@H](CCCN3C(=O)CC[C@@H]23)O1.
What is the InChIKey of (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one?
The InChIKey is FZHUHJWAEYAHEM-CATGTTOSSA-N. The full InChI is InChI=1S/C12H19NO3/c1-15-12-7-8-9-4-5-11(14)13(9)6-2-3-10(8)16-12/h8-10,12H,2-7H2,1H3/t8?,9-,10+,12+/m0/s1.
What are the key properties of (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one?
(1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one has a molecular weight of 225.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-4-methoxy-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-11-one is sourced from PubChem (CID 102572723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).