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

C9H10N2O4 — CID 67148126

IUPACmethyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CCC2
InChIInChI=1S/C9H10N2O4/c1-15-9(14)6-7(12)8(13)11-4-2-3-5(11)10-6/h12H,2-4H2,1H3
InChIKeyCLDMYVOICUYBNY-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.32
Rot. Bonds1

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

methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 67148126) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
PubChem CID67148126
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CCC2
InChIInChI=1S/C9H10N2O4/c1-15-9(14)6-7(12)8(13)11-4-2-3-5(11)10-6/h12H,2-4H2,1H3
InChIKeyCLDMYVOICUYBNY-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate (CID 67148126) is methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1O)CCC2.
What is the InChIKey of methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is CLDMYVOICUYBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-9(14)6-7(12)8(13)11-4-2-3-5(11)10-6/h12H,2-4H2,1H3.
What are the key properties of methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate?
methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 210.19 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 67148126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).