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

C13H15NO2 — CID 4968024

IUPAC1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N2CCCC12
InChIInChI=1S/C13H15NO2/c15-13(16)10-8-9-4-1-2-5-11(9)14-7-3-6-12(10)14/h1-2,4-5,10,12H,3,6-8H2,(H,15,16)
InChIKeyGVMUUJQEWFYGIB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.91
Rot. Bonds1

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

1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid (PubChem CID 4968024) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid
PubChem CID4968024
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N2CCCC12
InChIInChI=1S/C13H15NO2/c15-13(16)10-8-9-4-1-2-5-11(9)14-7-3-6-12(10)14/h1-2,4-5,10,12H,3,6-8H2,(H,15,16)
InChIKeyGVMUUJQEWFYGIB-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid?
The IUPAC name of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid (CID 4968024) is 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid?
The canonical SMILES for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid is O=C(O)C1Cc2ccccc2N2CCCC12.
What is the InChIKey of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid?
The InChIKey is GVMUUJQEWFYGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)10-8-9-4-1-2-5-11(9)14-7-3-6-12(10)14/h1-2,4-5,10,12H,3,6-8H2,(H,15,16).
What are the key properties of 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid?
1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 4968024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).