methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate

C11H15NO3 — CID 174243379

IUPACmethyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate
SMILESCOC(=O)[C@@H]1[C@H]2CCC(O)/C=C\[C@H]3N[C@@]213
InChIInChI=1S/C11H15NO3/c1-15-10(14)9-7-4-2-6(13)3-5-8-11(7,9)12-8/h3,5-9,12-13H,2,4H2,1H3/b5-3-/t6?,7-,8-,9+,11-/m1/s1
InChIKeySZTSHOWBODMOLM-UPLJDGOJSA-N
MW209.24 g/mol
LogP-0.17
Rot. Bonds1

About methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate

methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate (PubChem CID 174243379) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate
PubChem CID174243379
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate
SMILESCOC(=O)[C@@H]1[C@H]2CCC(O)/C=C\[C@H]3N[C@@]213
InChIInChI=1S/C11H15NO3/c1-15-10(14)9-7-4-2-6(13)3-5-8-11(7,9)12-8/h3,5-9,12-13H,2,4H2,1H3/b5-3-/t6?,7-,8-,9+,11-/m1/s1
InChIKeySZTSHOWBODMOLM-UPLJDGOJSA-N
XLogP-0.17
TPSA68.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate?
The IUPAC name of methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate (CID 174243379) is methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate.
What is the SMILES notation for methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate?
The canonical SMILES for methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate is COC(=O)[C@@H]1[C@H]2CCC(O)/C=C\[C@H]3N[C@@]213.
What is the InChIKey of methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate?
The InChIKey is SZTSHOWBODMOLM-UPLJDGOJSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-10(14)9-7-4-2-6(13)3-5-8-11(7,9)12-8/h3,5-9,12-13H,2,4H2,1H3/b5-3-/t6?,7-,8-,9+,11-/m1/s1.
What are the key properties of methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate?
methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate has a molecular weight of 209.24 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,3R,4Z,9R,10R)-6-hydroxy-2-azatricyclo[7.1.0.01,3]dec-4-ene-10-carboxylate is sourced from PubChem (CID 174243379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).