chempirical

3-Methyl-2-cyclopenten-1-one

C6H8OCAS 2758-18-196.13 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C6H8O
Molar mass
96.13 g/mol
Exact mass
96.0575 Da
Density
0.9467 g/mL (at 15 °C)
Melting point
76–77 °C
Boiling point
157.5 °C
logP
1.30Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
2758-18-1
SMILES
CC1=CC(=O)CC1
InChIKey
CHCCBPDEADMNCI-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Cyclopenten-1-one, 3-methyl-
  • 3-Methyl-2-cyclopentenone
  • 3-Methyl-2-cyclopentene-1-one
  • Nussol
  • 3-Methylcyclopenten-2-one

Work with 3-Methyl-2-cyclopenten-1-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-2-cyclohexen-1-one1193-18-673 % similar Isophorone78-59-146 % similar Geranic acid459-80-336 % similar 3-Amino-2-cyclohexen-1-one5220-49-536 % similar 3-Ethoxy-2-cyclohexen-1-one5323-87-535 % similar Terpinolene586-62-931 % similar 1-Methylcyclopentene693-89-031 % similar Cyclopentenone930-30-331 % similar

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

Same formula

3-Methyl-2-penten-4-yn-1-ol105-29-3 Sorbaldehyde142-83-6 2-Ethylfuran3208-16-0 3-Methyl-1-penten-4-yn-3-ol3230-69-1 (2Z)-3-Methyl-2-penten-4-yn-1-ol6153-05-5 2,5-Dimethylfuran625-86-5 Cyclohexenone930-68-7

Elsewhere

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