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

C14H14N2O2 — CID 14265729

IUPAC8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESO=C(C1=C2NCCCN2C(=O)C1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c17-12-9-11(14-15-7-4-8-16(12)14)13(18)10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2
InChIKeyIHTRWPOXKSAQKB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.31
Rot. Bonds2

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

8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 14265729) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
PubChem CID14265729
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESO=C(C1=C2NCCCN2C(=O)C1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c17-12-9-11(14-15-7-4-8-16(12)14)13(18)10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2
InChIKeyIHTRWPOXKSAQKB-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-phenyl-1-(piperidin-1-yl)ethyl]acetamide
CID 3092544
6-(4-benzoylpiperidin-1-yl)-5-benzyl-3-methylpyrimidine-2,4(1H,3H)-dione
CID 44426780
4-(3-Fluoro-benzoyl)-piperidine-1-carboxylic acid propylamide
CID 3223608
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10567642
N-(1-Acetylamino-2-oxo-2-phenyl-ethyl)-acetamide
CID 843399
4-(4-Fluoro-benzoyl)-piperidine-1-carboxylic acid propylamide
CID 3223609
N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide
CID 12608557
1,3,4,10b-Tetrahydropyrimido[2,1-a]isoindol-6(2H)-one
CID 308271
5-Benzoyl-6-amino-1,3-dimethyluracil
CID 322349
5-Benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
CID 21858866
N-(1-cyclohexylpiperidin-4-yl)-4-oxo-4-phenylbutanamide
CID 162658942
Ethanone, 1-phenyl-2-(tetrahydro-2(1H)-pyrimidinylidene)-
CID 359959

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one (CID 14265729) is 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one is O=C(C1=C2NCCCN2C(=O)C1)c1ccccc1.
What is the InChIKey of 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is IHTRWPOXKSAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-12-9-11(14-15-7-4-8-16(12)14)13(18)10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2.
What are the key properties of 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 14265729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).