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

C16H18N2O2 — CID 14265732

IUPAC8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESCc1ccc(C(=O)C2=C3NCCCN3C(=O)C2)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-10-4-5-12(11(2)8-10)15(20)13-9-14(19)18-7-3-6-17-16(13)18/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyBLBUJUIRADJNLE-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.92
Rot. Bonds2

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

8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 14265732) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
PubChem CID14265732
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESCc1ccc(C(=O)C2=C3NCCCN3C(=O)C2)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-10-4-5-12(11(2)8-10)15(20)13-9-14(19)18-7-3-6-17-16(13)18/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyBLBUJUIRADJNLE-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one with MolForge

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Related Compounds

N-methyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
CID 2805775
1-[4-(4-Methylphenyl)-4-oxobutanoyl]piperidine-4-carboxamide
CID 2418958
5-[(E)-3-(2,4-dimethylphenyl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione
CID 25616773
N-[3-(dibutylamino)propyl]-5-(3-methyl-1,4-dioxonaphthalen-2-yl)pentanamide
CID 44372538
N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
CID 2805781
4-(3-methyl-1,4-dioxonaphthalen-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 10644510
1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 155550994
3-(3-{[(3,4-Dimethylphenyl)methyl]carbamoyl}phenyl)-N-ethylpiperidine-1-carboxamide
CID 50788844
9-Benzoyl-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidin-6-one
CID 13696696
2-(1,3-Diazinan-2-ylidene)-1-(2,4-dimethylphenyl)-3-phenylpropan-1-one
CID 14265716
8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 14265729
9-(4-Methylbenzoyl)-1,2,3,4,5,8-hexahydropyrrolo[1,2-a][1,3]diazepin-7-one
CID 14265736

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one (CID 14265732) is 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one is Cc1ccc(C(=O)C2=C3NCCCN3C(=O)C2)c(C)c1.
What is the InChIKey of 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is BLBUJUIRADJNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-4-5-12(11(2)8-10)15(20)13-9-14(19)18-7-3-6-17-16(13)18/h4-5,8,17H,3,6-7,9H2,1-2H3.
What are the key properties of 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 270.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 14265732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).