(1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

HCID 101709

Notes Reactions

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Basic information

CAS: 127379-23-1
Standard SMILES: CN1C2CC=C(C(=O)O)C1CC2
InChIKey: HZGRVVUQEIBCMS-UHFFFAOYSA-N
Molecular formula: C9H13NO2
Average molar mass: 167.2 g/mol
Monoisotopic mass: 167.09462866

Names & identifiers

Preferred name: (1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
IUPAC: 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

Names & synonyms

Ecgonine, derivative ofSCHEMBL25660DTXSID00901169(1R)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acidNS00005263Q560857238-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid #8-Azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid, 8-methyl-, (1R)-

Database identifiers

CAS: 127379-23-1
PubChem CID: 101709
DTXSID: DTXSID00901169

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 247

Related reactions

2 records

New reaction record

HRID 1584740As reactantuspto-grants-1999_08

HRID 1604009As reactantuspto-grants-1999_11

Compound notes

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