6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid

C10H11NO3 — CID 115019326

IUPAC6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
SMILESO=C(O)C1CCCc2cccc(=O)n21
InChIInChI=1S/C10H11NO3/c12-9-6-2-4-7-3-1-5-8(10(13)14)11(7)9/h2,4,6,8H,1,3,5H2,(H,13,14)
InChIKeyLGZOZCKYHVJCTD-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.81
Rot. Bonds1

About 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid

6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid (PubChem CID 115019326) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
PubChem CID115019326
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
SMILESO=C(O)C1CCCc2cccc(=O)n21
InChIInChI=1S/C10H11NO3/c12-9-6-2-4-7-3-1-5-8(10(13)14)11(7)9/h2,4,6,8H,1,3,5H2,(H,13,14)
InChIKeyLGZOZCKYHVJCTD-UHFFFAOYSA-N
XLogP0.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115036384
3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83837680
3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693098
3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149400
3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149368
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149418
5-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-carboxylic acid
CID 105468499
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid?
The IUPAC name of 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid (CID 115019326) is 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid?
The canonical SMILES for 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid is O=C(O)C1CCCc2cccc(=O)n21.
What is the InChIKey of 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid?
The InChIKey is LGZOZCKYHVJCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-6-2-4-7-3-1-5-8(10(13)14)11(7)9/h2,4,6,8H,1,3,5H2,(H,13,14).
What are the key properties of 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid?
6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid is sourced from PubChem (CID 115019326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).