3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid

C8H8N2O4 — CID 91047728

IUPAC3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2n(c(=O)c1O)CCC2
InChIInChI=1S/C8H8N2O4/c11-6-5(8(13)14)9-4-2-1-3-10(4)7(6)12/h11H,1-3H2,(H,13,14)
InChIKeyIGUJAUSFIQMVSK-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.41
Rot. Bonds1

About 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid

3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 91047728) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID91047728
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2n(c(=O)c1O)CCC2
InChIInChI=1S/C8H8N2O4/c11-6-5(8(13)14)9-4-2-1-3-10(4)7(6)12/h11H,1-3H2,(H,13,14)
InChIKeyIGUJAUSFIQMVSK-UHFFFAOYSA-N
XLogP-0.41
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 162657086
1,2-Dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium
CID 58777372
8,8-Dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid
CID 58798974
methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
CID 67148126
prop-2-enyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
CID 67149103
5-Hydroxy-1,2-dimethyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 68279494
3-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxylic acid
CID 91019702
2-Tert-butyl-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 91146868
3-Hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91534976
(2S)-11-hydroxy-7,10-dioxo-6,9,13-triazatricyclo[7.4.0.02,6]trideca-1(13),11-diene-12-carboxylic acid
CID 91574300
3-Hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid
CID 150981817
4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
CID 151512911

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid (CID 91047728) is 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2n(c(=O)c1O)CCC2.
What is the InChIKey of 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is IGUJAUSFIQMVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6-5(8(13)14)9-4-2-1-3-10(4)7(6)12/h11H,1-3H2,(H,13,14).
What are the key properties of 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 91047728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).