3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid

C10H12N2O4 — CID 150981817

IUPAC3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1(C)CCn2c1nc(C(=O)O)c(O)c2=O
InChIInChI=1S/C10H12N2O4/c1-10(2)3-4-12-7(14)6(13)5(8(15)16)11-9(10)12/h13H,3-4H2,1-2H3,(H,15,16)
InChIKeyLQGIOTWLQCUNPE-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.33
Rot. Bonds1

About 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid

3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 150981817) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID150981817
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1(C)CCn2c1nc(C(=O)O)c(O)c2=O
InChIInChI=1S/C10H12N2O4/c1-10(2)3-4-12-7(14)6(13)5(8(15)16)11-9(10)12/h13H,3-4H2,1-2H3,(H,15,16)
InChIKeyLQGIOTWLQCUNPE-UHFFFAOYSA-N
XLogP0.33
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid (CID 150981817) is 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid is CC1(C)CCn2c1nc(C(=O)O)c(O)c2=O.
What is the InChIKey of 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is LQGIOTWLQCUNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-10(2)3-4-12-7(14)6(13)5(8(15)16)11-9(10)12/h13H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 150981817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).