1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

C10H15NO2 — CID 77161603

IUPAC1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
SMILESCN1C2CC=C(C(=O)O)C1(C)CC2
InChIInChI=1S/C10H15NO2/c1-10-6-5-7(11(10)2)3-4-8(10)9(12)13/h4,7H,3,5-6H2,1-2H3,(H,12,13)
InChIKeyGERCZUXVIIXXFU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds1

About 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (PubChem CID 77161603) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
PubChem CID77161603
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
SMILESCN1C2CC=C(C(=O)O)C1(C)CC2
InChIInChI=1S/C10H15NO2/c1-10-6-5-7(11(10)2)3-4-8(10)9(12)13/h4,7H,3,5-6H2,1-2H3,(H,12,13)
InChIKeyGERCZUXVIIXXFU-UHFFFAOYSA-N
XLogP1.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The IUPAC name of 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid (CID 77161603) is 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid.
What is the SMILES notation for 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The canonical SMILES for 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is CN1C2CC=C(C(=O)O)C1(C)CC2.
What is the InChIKey of 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
The InChIKey is GERCZUXVIIXXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10-6-5-7(11(10)2)3-4-8(10)9(12)13/h4,7H,3,5-6H2,1-2H3,(H,12,13).
What are the key properties of 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid?
1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid is sourced from PubChem (CID 77161603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).