1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate

C₁₀H₁₃N₃O₂CAS 937046-96-3207.23 g/mol

Open in Covalent MOL file

Alcohol Nitrile

Properties

Molecular formula: C₁₀H₁₃N₃O₂
Molar mass: 207.23 g/mol
Exact mass: 207.1008 Da
logP: 1.85Crippen estimate
Polar surface area: 70.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

937046-96-3

SMILES

CC(C)(C)OC(O)=Nn1cccc1C#N

InChIKey

SXUSNFHKHIJDRN-UHFFFAOYSA-N

InChI

InChI=1S/C10H13N3O2/c1-10(2,3)15-9(14)12-13-6-4-5-8(13)7-11/h4-6H,1-3H3,(H,12,14)

Weigh it out

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

Names and synonyms

2 names

Carbamic acid, N-(2-cyano-1H-pyrrol-1-yl)-, 1,1-dimethylethyl ester
tert-Butyl (2-cyano-1H-pyrrol-1-yl)carbamate

Work with 1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate

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

Same formula

1-(2-Pyrimidinyl)-4-piperidinecarboxylic acid303144-44-7 1-(2-Nitrophenyl)piperazine59084-06-9 1-(4-Nitrophenyl)piperazine6269-89-2

Elsewhere

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