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

C14H14N2O — CID 125450643

IUPAC2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCc1ccccc1-c1cc(=O)n2c(n1)CCC2
InChIInChI=1S/C14H14N2O/c1-10-5-2-3-6-11(10)12-9-14(17)16-8-4-7-13(16)15-12/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyOCJYNKULJJOYOA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.16
Rot. Bonds1

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

2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 125450643) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID125450643
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCc1ccccc1-c1cc(=O)n2c(n1)CCC2
InChIInChI=1S/C14H14N2O/c1-10-5-2-3-6-11(10)12-9-14(17)16-8-4-7-13(16)15-12/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyOCJYNKULJJOYOA-UHFFFAOYSA-N
XLogP2.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 141206790
2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 13382495
2-(3-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450645
2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 115003566
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 134116243
2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline
CID 22768993
CID 160589234
CID 160589234
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586
2-(2-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 112708342
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
2-methyl-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 131864653

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 125450643) is 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is Cc1ccccc1-c1cc(=O)n2c(n1)CCC2.
What is the InChIKey of 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is OCJYNKULJJOYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-5-2-3-6-11(10)12-9-14(17)16-8-4-7-13(16)15-12/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 226.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).