Ethyl (2-methylacryloyl)carbamate

HCID 13628540

Notes Reactions

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Basic information

CAS: 53580-39-5
Standard SMILES: C=C(C)C(=O)NC(=O)OCC
InChIKey: DOEXKUOGPAEBAD-UHFFFAOYSA-N
Molecular formula: C7H11NO3
Average molar mass: 157.17 g/mol
Monoisotopic mass: 157.07389321

Names & identifiers

Preferred name: Ethyl (2-methylacryloyl)carbamate
IUPAC: ethyl N-(2-methylprop-2-enoyl)carbamate

Names & synonyms

53580-39-5Ethyl (2-methylacryloyl)carbamateethyl methacryloylcarbamateethyl N-methacryloylcarbamateSCHEMBL357937DTXSID40545405Ethyl (2-methylprop-2-enoyl)carbamate

Database identifiers

CAS: 53580-39-5
PubChem CID: 13628540
DTXSID: DTXSID40545405
Nikkaji: J1.060.095B

Properties

Computed structural propertiesFilling in

XLogP: 1.1
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 186

Related reactions

22 records

New reaction record

HRID 111348As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 160953As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 302628As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 818624As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 834950As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 938238As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 960259As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1452124As reactantuspto-grants-1997_02

Compound notes

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