1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid

C8H8N2O4 — CID 82657512

IUPAC1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1c2n(c(=O)[nH]c1=O)CCC2
InChIInChI=1S/C8H8N2O4/c11-6-5(7(12)13)4-2-1-3-10(4)8(14)9-6/h1-3H2,(H,12,13)(H,9,11,14)
InChIKeyKWXCWSKJAWTVGZ-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.82
Rot. Bonds1

About 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid

1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid (PubChem CID 82657512) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid
PubChem CID82657512
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1c2n(c(=O)[nH]c1=O)CCC2
InChIInChI=1S/C8H8N2O4/c11-6-5(7(12)13)4-2-1-3-10(4)8(14)9-6/h1-3H2,(H,12,13)(H,9,11,14)
InChIKeyKWXCWSKJAWTVGZ-UHFFFAOYSA-N
XLogP-0.82
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid?
The IUPAC name of 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid (CID 82657512) is 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid?
The canonical SMILES for 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid is O=C(O)c1c2n(c(=O)[nH]c1=O)CCC2.
What is the InChIKey of 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid?
The InChIKey is KWXCWSKJAWTVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6-5(7(12)13)4-2-1-3-10(4)8(14)9-6/h1-3H2,(H,12,13)(H,9,11,14).
What are the key properties of 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid?
1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82657512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).