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

C8H8N2O3 — CID 151512911

IUPAC4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(n1)CCC2
InChIInChI=1S/C8H8N2O3/c11-7-4-5(8(12)13)9-6-2-1-3-10(6)7/h4H,1-3H2,(H,12,13)
InChIKeyPSVVTMRDSKXFIM-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.11
Rot. Bonds1

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

4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 151512911) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID151512911
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(n1)CCC2
InChIInChI=1S/C8H8N2O3/c11-7-4-5(8(12)13)9-6-2-1-3-10(6)7/h4H,1-3H2,(H,12,13)
InChIKeyPSVVTMRDSKXFIM-UHFFFAOYSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-6-oxo-1-prop-2-enylpyrimidine-4-carboxylic acid
CID 54133355
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83878709
3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid
CID 91047728
4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxylic acid
CID 152560099
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid hydrochloride
CID 155167587
1,2-Dimethyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 163239068
2-Cyclopropyl-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 165410561
2-Cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid
CID 165411517
6-oxo-2-pyrrolidin-3-yl-1H-pyrimidine-4-carboxylic acid
CID 136329504
2-(1-Methylpyrrolidin-3-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 136967077
6-Oxo-2-[(pyrrolidin-1-yl)methyl]-3,6-dihydropyrimidine-4-carboxylic acid
CID 165461460
2-(1-Methylpyrrolidin-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 165952303

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid (CID 151512911) is 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc(=O)n2c(n1)CCC2.
What is the InChIKey of 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is PSVVTMRDSKXFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-7-4-5(8(12)13)9-6-2-1-3-10(6)7/h4H,1-3H2,(H,12,13).
What are the key properties of 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 151512911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).