chempirical

6,7-Dihydro-5H-1-pyridin-5-one

C8H7NOCAS 28566-14-5133.15 g/mol

Open in Covalent MOL file
ON
Ketone

Properties

Molecular formula
C8H7NO
Molar mass
133.15 g/mol
Exact mass
133.0528 Da
logP
1.21Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
28566-14-5
SMILES
C1CC(=O)C2=C1N=CC=C2
InChIKey
LMEREVKJVWUGJI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c10-8-4-3-7-6(8)2-1-5-9-7/h1-2,5H,3-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 6,7-Dihydro-5H-1-pyridin-5-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5H,6H,7H,8H,9H-Cyclohepta[b]pyridine-5,9-dione39713-40-156 % similar 1-Indanone83-33-050 % similar 4-Chloroindan-1-one15115-59-044 % similar 4-Bromo-1-indanone15115-60-344 % similar 1 10-Phenanthroline-5 6-dione 9727318-90-744 % similar 4-Methyl-1-indanone24644-78-843 % similar 4-Hydroxyindan-1-one40731-98-443 % similar 1-Tetralone529-34-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 4-Hydroxybenzyl cyanide14191-95-8 3-Methoxybenzonitrile1527-89-5 5-Hydroxyindole1953-54-4 7-Hydroxyindole2380-84-9 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook