methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate

C11H19NO2 — CID 171936317

IUPACmethyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate
SMILESCOC(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C11H19NO2/c1-12-9-4-3-5-10(12)7-8(6-9)11(13)14-2/h8-10H,3-7H2,1-2H3
InChIKeyHEKQRGYXZXSHQU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds1

About methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate

methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate (PubChem CID 171936317) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate
PubChem CID171936317
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate
SMILESCOC(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C11H19NO2/c1-12-9-4-3-5-10(12)7-8(6-9)11(13)14-2/h8-10H,3-7H2,1-2H3
InChIKeyHEKQRGYXZXSHQU-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939010
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
2-methyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 171938870
cis-methyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 58952956
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
5-methoxy-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pentan-1-one
CID 171937828
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
methyl 3-hydroxycyclohexane-1-carboxylate;hydrate
CID 172848258
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990

Frequently Asked Questions

What is the IUPAC name of methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate?
The IUPAC name of methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate (CID 171936317) is methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate.
What is the SMILES notation for methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate?
The canonical SMILES for methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate is COC(=O)C1CC2CCCC(C1)N2C.
What is the InChIKey of methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate?
The InChIKey is HEKQRGYXZXSHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-9-4-3-5-10(12)7-8(6-9)11(13)14-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate?
methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate is sourced from PubChem (CID 171936317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).