Cyclohexanecarboxamide

C7H13NOCAS 1122-56-1127.19 g/mol

Open in Covalent MOL file
H2NO

Properties

Molecular formula
C7H13NO
Molar mass
127.19 g/mol
Exact mass
127.0997 Da
Melting point
184–185 °C
logP
2.10Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1122-56-1
SMILES
N=C(O)C1CCCCC1
InChIKey
PNZXMIKHJXIPEK-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)

Weigh it out

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Names and synonyms

3 names
  • Cyclohexylcarboxamide
  • Hexahydrobenzamide
  • NSC 16584

Work with Cyclohexanecarboxamide

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

Cyclopropanecarboxamide6228-73-574 % similar Valpromide2430-27-558 % similar 4-Piperidinecarboxamide39546-32-258 % similar 3-Piperidinecarboxamide4138-26-558 % similar Cycloheptanecarboxylic acid1460-16-844 % similar Cyclohexanecarboxylic acid26764-36-344 % similar Cycloundecanecarboxylic acid831-67-444 % similar Cyclohexanecarboxylic acid98-89-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butylacrylamide107-58-4 N-Isopropylmethacrylamide13749-61-6 (+-)-3-Quinuclidinol1619-34-7 2-Oxa-7-azaspiro[3.5]nonane241820-91-7 1-Aza-2-methoxy-1-cycloheptene2525-16-8 Hexyl isocyanate2525-62-4 (R)-3-Quinuclidinol25333-42-0 N-Methylcaprolactam2556-73-2

Elsewhere

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