methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate

C11H19NO2 — CID 94036888

IUPACmethyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate
SMILESCOC(=O)N1C[C@]2(C)CCCC[C@@]12C
InChIInChI=1S/C11H19NO2/c1-10-6-4-5-7-11(10,2)12(8-10)9(13)14-3/h4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyUKIJZVGBXDNOAT-WDEREUQCSA-N
MW197.28 g/mol
LogP2.41
Rot. Bonds

About methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate

methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate (PubChem CID 94036888) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate.

Molecular Properties

Compound Namemethyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate
PubChem CID94036888
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate
SMILESCOC(=O)N1C[C@]2(C)CCCC[C@@]12C
InChIInChI=1S/C11H19NO2/c1-10-6-4-5-7-11(10,2)12(8-10)9(13)14-3/h4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyUKIJZVGBXDNOAT-WDEREUQCSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate?
The IUPAC name of methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate (CID 94036888) is methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate.
What is the SMILES notation for methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate?
The canonical SMILES for methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate is COC(=O)N1C[C@]2(C)CCCC[C@@]12C.
What is the InChIKey of methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate?
The InChIKey is UKIJZVGBXDNOAT-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10-6-4-5-7-11(10,2)12(8-10)9(13)14-3/h4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate?
methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate is sourced from PubChem (CID 94036888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).