2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid

C10H17NO2 — CID 558135

IUPAC2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
SMILESO=C(O)C1CCCN2CCCCC12
InChIInChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)
InChIKeyZYQJGZAVMHNFNY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.34
Rot. Bonds1

About 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid

2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid (PubChem CID 558135) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
PubChem CID558135
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
SMILESO=C(O)C1CCCN2CCCCC12
InChIInChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)
InChIKeyZYQJGZAVMHNFNY-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid (CID 558135) is 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid is O=C(O)C1CCCN2CCCCC12.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid?
The InChIKey is ZYQJGZAVMHNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13).
What are the key properties of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid?
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid is sourced from PubChem (CID 558135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).