prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

C12H14N2O4 — CID 67149124

IUPACprop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESC=CCOC(=O)c1nc2n(c(=O)c1O)CCCC2
InChIInChI=1S/C12H14N2O4/c1-2-7-18-12(17)9-10(15)11(16)14-6-4-3-5-8(14)13-9/h2,15H,1,3-7H2
InChIKeyIYHPTYQMHGDACO-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.63
Rot. Bonds3

About prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 67149124) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID67149124
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Nameprop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESC=CCOC(=O)c1nc2n(c(=O)c1O)CCCC2
InChIInChI=1S/C12H14N2O4/c1-2-7-18-12(17)9-10(15)11(16)14-6-4-3-5-8(14)13-9/h2,15H,1,3-7H2
InChIKeyIYHPTYQMHGDACO-UHFFFAOYSA-N
XLogP0.63
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (CID 67149124) is prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is C=CCOC(=O)c1nc2n(c(=O)c1O)CCCC2.
What is the InChIKey of prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is IYHPTYQMHGDACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-7-18-12(17)9-10(15)11(16)14-6-4-3-5-8(14)13-9/h2,15H,1,3-7H2.
What are the key properties of prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 250.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 67149124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).