methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

C11H17NO3 — CID 74627769

IUPACmethyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
SMILESCOC(=O)N1CC2CC(=O)CC(C)(C2)C1
InChIInChI=1S/C11H17NO3/c1-11-4-8(3-9(13)5-11)6-12(7-11)10(14)15-2/h8H,3-7H2,1-2H3
InChIKeyGFHHEAWRTSLYTI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.44
Rot. Bonds

About methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate (PubChem CID 74627769) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
PubChem CID74627769
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
SMILESCOC(=O)N1CC2CC(=O)CC(C)(C2)C1
InChIInChI=1S/C11H17NO3/c1-11-4-8(3-9(13)5-11)6-12(7-11)10(14)15-2/h8H,3-7H2,1-2H3
InChIKeyGFHHEAWRTSLYTI-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate with MolForge

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Related Compounds

9-Oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid 1,1-dimethylethyl ester
CID 57429706
Tert-butyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 52988154
Tert-butyl 1-formyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 154576927
Methyl 1-ethyl-5-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 74627744
methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
CID 134834591
Tert-butyl 7-oxo-3-azaspiro[5.5]undecane-3-carboxylate
CID 49760130
Ethyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 57485782
Ethyl 6-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 57485795
Ethene;ethyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 67271280
7-Oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 68622356
1-Ethyl-6-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 69581865
Methyl 4-(2-ethyl-3,3-dimethylbutanoyl)piperidine-1-carboxylate
CID 70955867

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate?
The IUPAC name of methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate (CID 74627769) is methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate?
The canonical SMILES for methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate is COC(=O)N1CC2CC(=O)CC(C)(C2)C1.
What is the InChIKey of methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate?
The InChIKey is GFHHEAWRTSLYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11-4-8(3-9(13)5-11)6-12(7-11)10(14)15-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate?
methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate is sourced from PubChem (CID 74627769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).