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

C8H8N2O4 — CID 136837170

IUPAC2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(O)nc2n(c1=O)CCC2
InChIInChI=1S/C8H8N2O4/c11-6-5(8(13)14)7(12)10-3-1-2-4(10)9-6/h11H,1-3H2,(H,13,14)
InChIKeyYDSBSLYMTZGDRE-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.41
Rot. Bonds1

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

2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 136837170) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID136837170
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1c(O)nc2n(c1=O)CCC2
InChIInChI=1S/C8H8N2O4/c11-6-5(8(13)14)7(12)10-3-1-2-4(10)9-6/h11H,1-3H2,(H,13,14)
InChIKeyYDSBSLYMTZGDRE-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

2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 136680481
N-(3-tert-butylsulfanyl-2-chlorophenyl)-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 171473477
3-acetyl-7,8-dihydro-6H-pyrrolo[2,1-c][1,2,4]triazin-4-one
CID 91983878
1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolizine-8-carboxylic acid
CID 82403523
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 45118325
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-3,6-dimethylbenzoic acid
CID 103431020
1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 86150310
7,8-dihydro-6H-pyrrolo[1,2-a][1,3,5]triazine-2,4-dione
CID 10397016
2,4-dihydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 11557820
6-methyl-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 163363445
(2R)-2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid
CID 95732357

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid (CID 136837170) is 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1c(O)nc2n(c1=O)CCC2.
What is the InChIKey of 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is YDSBSLYMTZGDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6-5(8(13)14)7(12)10-3-1-2-4(10)9-6/h11H,1-3H2,(H,13,14).
What are the key properties of 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid?
2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-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 2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 136837170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).