2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C7H8N2O2 — CID 135400752

IUPAC2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1cc(O)nc2n1CCC2
InChIInChI=1S/C7H8N2O2/c10-6-4-7(11)9-3-1-2-5(9)8-6/h4,10H,1-3H2
InChIKeyZGKQXXXESSWHQE-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.10
Rot. Bonds

About 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 135400752) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID135400752
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1cc(O)nc2n1CCC2
InChIInChI=1S/C7H8N2O2/c10-6-4-7(11)9-3-1-2-5(9)8-6/h4,10H,1-3H2
InChIKeyZGKQXXXESSWHQE-UHFFFAOYSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 135400752) is 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is O=c1cc(O)nc2n1CCC2.
What is the InChIKey of 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is ZGKQXXXESSWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6-4-7(11)9-3-1-2-5(9)8-6/h4,10H,1-3H2.
What are the key properties of 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 152.15 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135400752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).