3-Methylbut-2-enyl carbamate

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Basic information

CAS: 36883-22-4
Standard SMILES: CC(C)=CCOC(N)=O
InChIKey: NRHIJLHWYJFFSK-UHFFFAOYSA-N
Molecular formula: C6H11NO2
Average molar mass: 129.16 g/mol
Monoisotopic mass: 129.07897859

Names & identifiers

Preferred name: 3-Methylbut-2-enyl carbamate
IUPAC: 3-methylbut-2-enyl carbamate

Names & synonyms

3-methylbut-2-enyl carbamate36883-22-4DTXSID80306976RefChem:281067DTXCID80258103prenyl carbamateNSC184793SCHEMBL205462313-Methylbut-2-en-1-yl carbamateAKOS006364083NSC-184793

Database identifiers

CAS: 36883-22-4
PubChem CID: 302133
DTXSID: DTXSID80306976

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 125

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Compound notes

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