methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate

C12H11NO2 — CID 11019915

IUPACmethyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate
SMILESCOC(=O)N1[C@@H]2C=C[C@H]1c1ccccc12
InChIInChI=1S/C12H11NO2/c1-15-12(14)13-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,10-11H,1H3/t10-,11+
InChIKeyVMVWPMSOKVZFNE-PHIMTYICSA-N
MW201.22 g/mol
LogP2.42
Rot. Bonds

About methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate

methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate (PubChem CID 11019915) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate.

Molecular Properties

Compound Namemethyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate
PubChem CID11019915
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namemethyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate
SMILESCOC(=O)N1[C@@H]2C=C[C@H]1c1ccccc12
InChIInChI=1S/C12H11NO2/c1-15-12(14)13-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,10-11H,1H3/t10-,11+
InChIKeyVMVWPMSOKVZFNE-PHIMTYICSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate with MolForge

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Related Compounds

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CID 102138920
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CID 98554703
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methyl 1a,6b-dihydro-1H-cyclopropa[b]indole-2-carboxylate
CID 582671
dimethyl (1S,4R)-3-butyl-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate
CID 11086674
dimethyl 3-butyl-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate
CID 85393824
methyl (1R,2R,5S,6R)-2,5-dimethyl-7-azabicyclo[4.1.0]hept-3-ene-7-carboxylate
CID 98553757
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CID 11832704
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
methyl 3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 12074117
dimethyl 5,8-diazahexacyclo[10.6.1.13,10.02,11.04,9.013,18]icosa-4(9),6,13,15,17-pentaene-5,8-dicarboxylate
CID 102079124
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CID 7039088

Frequently Asked Questions

What is the IUPAC name of methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate?
The IUPAC name of methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate (CID 11019915) is methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate.
What is the SMILES notation for methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate?
The canonical SMILES for methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate is COC(=O)N1[C@@H]2C=C[C@H]1c1ccccc12.
What is the InChIKey of methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate?
The InChIKey is VMVWPMSOKVZFNE-PHIMTYICSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12(14)13-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,10-11H,1H3/t10-,11+.
What are the key properties of methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate?
methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate is sourced from PubChem (CID 11019915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).