3-ethyl-1H-perimidin-2-one

C13H12N2O — CID 830669

IUPAC3-ethyl-1H-perimidin-2-one
SMILESCCN1C(=O)Nc2cccc3cccc1c23
InChIInChI=1S/C13H12N2O/c1-2-15-11-8-4-6-9-5-3-7-10(12(9)11)14-13(15)16/h3-8H,2H2,1H3,(H,14,16)
InChIKeyDHQCXTWBZVCJIP-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.21
Rot. Bonds1

About 3-ethyl-1H-perimidin-2-one

3-ethyl-1H-perimidin-2-one (PubChem CID 830669) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-ethyl-1H-perimidin-2-one.

Molecular Properties

Compound Name3-ethyl-1H-perimidin-2-one
PubChem CID830669
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-ethyl-1H-perimidin-2-one
SMILESCCN1C(=O)Nc2cccc3cccc1c23
InChIInChI=1S/C13H12N2O/c1-2-15-11-8-4-6-9-5-3-7-10(12(9)11)14-13(15)16/h3-8H,2H2,1H3,(H,14,16)
InChIKeyDHQCXTWBZVCJIP-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzyl-3-(1-naphthyl)urea
CID 668231
Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
CID 99645
1-Naphthylurea
CID 81387
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
2,2-Dimethyl-2,3-dihydroperimidine
CID 72628
1-Piperazinecarboxylic acid, 4-(1-naphthylcarbamoyl)-, ethyl ester
CID 379219
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
2-p-Tolyl-2,3-dihydro-1H-perimidine
CID 727034
2-(3-methylphenyl)-2,3-dihydro-1H-perimidine
CID 761639
Urea, 1-(1-naphthyl)-3-phenyl-
CID 239525
2-(4-fluorophenyl)-2,3-dihydro-1H-perimidine
CID 255084
1-methyl-1H-perimidin-2(3H)-one
CID 715306

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-perimidin-2-one?
The IUPAC name of 3-ethyl-1H-perimidin-2-one (CID 830669) is 3-ethyl-1H-perimidin-2-one.
What is the SMILES notation for 3-ethyl-1H-perimidin-2-one?
The canonical SMILES for 3-ethyl-1H-perimidin-2-one is CCN1C(=O)Nc2cccc3cccc1c23.
What is the InChIKey of 3-ethyl-1H-perimidin-2-one?
The InChIKey is DHQCXTWBZVCJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-15-11-8-4-6-9-5-3-7-10(12(9)11)14-13(15)16/h3-8H,2H2,1H3,(H,14,16).
What are the key properties of 3-ethyl-1H-perimidin-2-one?
3-ethyl-1H-perimidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-perimidin-2-one is sourced from PubChem (CID 830669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).