methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride

C9H16ClNO2 — CID 68993955

IUPACmethyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1NCC2C1C2(C)C.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H
InChIKeyFKVUDBWXNAFSPB-UHFFFAOYSA-N
MW205.68 g/mol
LogP0.83
Rot. Bonds1

About methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride

methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride (PubChem CID 68993955) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
PubChem CID68993955
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1NCC2C1C2(C)C.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H
InChIKeyFKVUDBWXNAFSPB-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride (CID 68993955) is methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride is COC(=O)C1NCC2C1C2(C)C.Cl.
What is the InChIKey of methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride?
The InChIKey is FKVUDBWXNAFSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H.
What are the key properties of methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride?
methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride is sourced from PubChem (CID 68993955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).