6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one

C14H16N2O — CID 15915812

IUPAC6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=C1CCN=C2CCC(Cc3ccccc3)N12
InChIInChI=1S/C14H16N2O/c17-14-8-9-15-13-7-6-12(16(13)14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyJEXYFROIFNSGGU-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.02
Rot. Bonds2

About 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one

6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 15915812) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID15915812
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=C1CCN=C2CCC(Cc3ccccc3)N12
InChIInChI=1S/C14H16N2O/c17-14-8-9-15-13-7-6-12(16(13)14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyJEXYFROIFNSGGU-UHFFFAOYSA-N
XLogP2.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318444
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
(5S)-1-phenyl-5-(2H-tetrazol-5-ylmethyl)pyrrolidin-2-one
CID 102242252
benzyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 66739288
5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 12764882
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
5-ethyl-1-phenylpyrrolidin-2-one
CID 14142559
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
(5S)-1-acetyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59318478
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470
methyl (4S)-4-benzyl-1,6-dioxo-3,4,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-9-carboxylate
CID 7082520
(5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide
CID 15395310

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one (CID 15915812) is 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one is O=C1CCN=C2CCC(Cc3ccccc3)N12.
What is the InChIKey of 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is JEXYFROIFNSGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-8-9-15-13-7-6-12(16(13)14)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one?
6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 228.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 15915812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).