5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one

C16H13N3O2 — CID 135463984

IUPAC5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one
SMILESO=C(c1ccccc1)c1c2nc[nH]c(=O)c2c2n1CCC2
InChIInChI=1S/C16H13N3O2/c20-15(10-5-2-1-3-6-10)14-13-12(16(21)18-9-17-13)11-7-4-8-19(11)14/h1-3,5-6,9H,4,7-8H2,(H,17,18,21)
InChIKeyZWBYDLOAEFFZJQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.90
Rot. Bonds2

About 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one

5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one (PubChem CID 135463984) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one.

Molecular Properties

Compound Name5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one
PubChem CID135463984
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one
SMILESO=C(c1ccccc1)c1c2nc[nH]c(=O)c2c2n1CCC2
InChIInChI=1S/C16H13N3O2/c20-15(10-5-2-1-3-6-10)14-13-12(16(21)18-9-17-13)11-7-4-8-19(11)14/h1-3,5-6,9H,4,7-8H2,(H,17,18,21)
InChIKeyZWBYDLOAEFFZJQ-UHFFFAOYSA-N
XLogP1.90
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135449028
N-(5-benzoyl-7-cyano-2,3-dihydro-1H-pyrrolizin-6-yl)-2-chloroacetamide
CID 872979
N-(4-fluorophenyl)-1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carboxamide
CID 164617067
2-(4-fluorophenyl)-1-oxo-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
CID 164618573
6-amino-5-benzoyl-2,3-dihydro-1H-pyrrolizine-7-carbonitrile
CID 741280
4-oxo-4,6,7,8-tetrahydro-3H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile
CID 136232188
10,19-dioxo-N-phenyl-1,4,11-triazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-2,8,11,13,15,17-hexaene-3-carboxamide
CID 45112656
2-(2-Methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-A:3',2'-D]pyrimidin-1-YL)-N-(4-methylphenyl)acetamide
CID 91908629
10-Benzoylpyrimido[5,4-a]indolizine-4(3h)-one
CID 135456736
2-Amino-7-benzoyl-3H-pyrrolo[3,2-D]pyrimidin-4(5H)-one
CID 135463627
7-(4-fluorophenyl)-5-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135630716
5-methyl-7-(4-methylphenyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135630721

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one?
The IUPAC name of 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one (CID 135463984) is 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one.
What is the SMILES notation for 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one?
The canonical SMILES for 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one is O=C(c1ccccc1)c1c2nc[nH]c(=O)c2c2n1CCC2.
What is the InChIKey of 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one?
The InChIKey is ZWBYDLOAEFFZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15(10-5-2-1-3-6-10)14-13-12(16(21)18-9-17-13)11-7-4-8-19(11)14/h1-3,5-6,9H,4,7-8H2,(H,17,18,21).
What are the key properties of 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one?
5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one has a molecular weight of 279.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizin-1-one is sourced from PubChem (CID 135463984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).