(+)-2,2-Dimethylcyclopropanecarboxamide

C₆H₁₁NOCAS 75885-58-4113.16 g/mol

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Properties

Molecular formula: C₆H₁₁NO
Molar mass: 113.16 g/mol
Exact mass: 113.0841 Da
logP: 1.57Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

75885-58-4

SMILES

CC1(C)C[C@@H]1C(=N)O

InChIKey

YBZQRYWKYBZZNT-SCSAIBSYSA-N

InChI

InChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1

Weigh it out

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

Names and synonyms

7 names

Cyclopropanecarboxamide, 2,2-dimethyl-, (1S)-
Cyclopropanecarboxamide, 2,2-dimethyl-, (S)-
(1S)-2,2-Dimethylcyclopropanecarboxamide
S-(+)-2,2-Dimethylcyclopropane-1-carboxamide
S-(+)-2,2-Dimethylcyclopropanecarboxamide
(S)-2,2-Dimethylcyclopropanecarboxamide
(1S)-2,2-Dimethylcyclopropane-1-carboxamide

Work with (+)-2,2-Dimethylcyclopropanecarboxamide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,2-Dimethylcyclopropanecarboxamide1759-55-3Stereo not defined

Similar compounds

2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide702-96-550 % similar 2,2-Dimethyl cyclopropyl carboxylic acid75885-59-550 % similar 2,2-Dichlorocyclopropanecarboxamide75885-60-850 % similar Cyclohexanecarboxamide1122-56-139 % similar Isobutyramide563-83-738 % similar Cyclopropanecarboxamide6228-73-538 % similar 2,3-Dibromopropionamide15102-42-837 % similar Valpromide2430-27-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclohexanone oxime100-64-1 Caprolactam105-60-2 (1S,4R)-4-Amino-2-cyclopentene-1-methanol136522-35-5 1-Methyl-4-piperidone1445-73-4 2,4,4-Trimethyl-2-oxazoline1772-43-6 N-Isopropylacrylamide2210-25-5 2,4,5-Trimethyl-3-oxazoline22694-96-8

Elsewhere

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