8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid

C13H15NO3 — CID 105492570

IUPAC8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
SMILESO=C(O)C1CC2CCc3ccc(O)cc3N2C1
InChIInChI=1S/C13H15NO3/c15-11-4-2-8-1-3-10-5-9(13(16)17)7-14(10)12(8)6-11/h2,4,6,9-10,15H,1,3,5,7H2,(H,16,17)
InChIKeyXZYBFXSPLUBTOE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.62
Rot. Bonds1

About 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid

8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid (PubChem CID 105492570) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
PubChem CID105492570
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
SMILESO=C(O)C1CC2CCc3ccc(O)cc3N2C1
InChIInChI=1S/C13H15NO3/c15-11-4-2-8-1-3-10-5-9(13(16)17)7-14(10)12(8)6-11/h2,4,6,9-10,15H,1,3,5,7H2,(H,16,17)
InChIKeyXZYBFXSPLUBTOE-UHFFFAOYSA-N
XLogP1.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid
CID 105489583
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105455172
2-amino-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-7-ol
CID 105456514
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-7-ol
CID 105444334
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
4-(aminomethyl)-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-9-ol
CID 105491505
4-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)cyclohexane-1-carboxylic acid
CID 71089934
7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057019
2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
CID 105460129
7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 18005850
1-(1,1-dioxothiolan-3-yl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903025
1-(3-ethylcyclohexyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903079

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid?
The IUPAC name of 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid (CID 105492570) is 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid.
What is the SMILES notation for 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid?
The canonical SMILES for 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid is O=C(O)C1CC2CCc3ccc(O)cc3N2C1.
What is the InChIKey of 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid?
The InChIKey is XZYBFXSPLUBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-11-4-2-8-1-3-10-5-9(13(16)17)7-14(10)12(8)6-11/h2,4,6,9-10,15H,1,3,5,7H2,(H,16,17).
What are the key properties of 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid?
8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-2-carboxylic acid is sourced from PubChem (CID 105492570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).