chempirical

2-Cyclohepten-1-one

C7H10OCAS 1121-66-0110.16 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C7H10O
Molar mass
110.16 g/mol
Exact mass
110.0732 Da
Boiling point
37.5 °C (at 0.6 Torr)
logP
1.69Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1121-66-0
SMILES
O=C1C=CCCCC1
InChIKey
WZCRDVTWUYLPTR-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2

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

Names and synonyms

3 names
  • Tropilene
  • 2-Cycloheptenone
  • NSC 155333

Reactions

Work with 2-Cyclohepten-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexenone930-68-785 % similar Cyclopentenone930-30-367 % similar Civetone542-46-148 % similar 1,4-Cyclohex-2-enedione4505-38-848 % similar Traumatic acid6402-36-444 % similar 2-Octen-4-one4643-27-041 % similar Undecenoyl chloride27236-80-241 % similar 3-Nonen-2-one14309-57-039 % similar

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

Same formula

Tetrahydrobenzaldehyde100-50-5 Dicyclopropyl ketone1121-37-5 1-Cyclohexene-1-carboxaldehyde1192-88-7 3-Methyl-2-cyclohexen-1-one1193-18-6 4-Ethynyltetrahydro-2H-py...1202245-65-5 5-Norbornen-2-ol13080-90-5 1-Ethynylcyclopentanol17356-19-3 4,4-Dimethyl-2-cyclopenten-1-one22748-16-9

Elsewhere

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