methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate

C10H17NO2 — CID 13414047

IUPACmethyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCOC(=O)N1C2CCCC1CCC2
InChIInChI=1S/C10H17NO2/c1-13-10(12)11-8-4-2-5-9(11)7-3-6-8/h8-9H,2-7H2,1H3
InChIKeyDCEIOSFQWYYLJG-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.16
Rot. Bonds

About methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate

methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 13414047) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Namemethyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID13414047
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCOC(=O)N1C2CCCC1CCC2
InChIInChI=1S/C10H17NO2/c1-13-10(12)11-8-4-2-5-9(11)7-3-6-8/h8-9H,2-7H2,1H3
InChIKeyDCEIOSFQWYYLJG-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69350476
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate
CID 11822148
methyl (1S,5R)-3-trimethylsilyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
CID 10825871
methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
CID 134856290
methyl 2-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 175911487
methyl 3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19857919
dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
tert-butyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 86811260

Frequently Asked Questions

What is the IUPAC name of methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 13414047) is methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate is COC(=O)N1C2CCCC1CCC2.
What is the InChIKey of methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is DCEIOSFQWYYLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)11-8-4-2-5-9(11)7-3-6-8/h8-9H,2-7H2,1H3.
What are the key properties of methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate?
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 13414047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).