3-Ethoxy-2-propenenitrile

HCID 43601

Notes Reactions

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Basic information

CAS: 61310-53-0
Standard SMILES: CCOC=CC#N
InChIKey: HUPVIAINOSTNBJ-UHFFFAOYSA-N
Molecular formula: C5H7NO
Average molar mass: 97.12 g/mol
Monoisotopic mass: 97.05276384

Overview

See also: 3-Ethoxyacrylonitrile (annotation moved to).

Names & identifiers

Preferred name: 3-Ethoxy-2-propenenitrile
IUPAC: 3-ethoxyprop-2-enenitrile

Names & synonyms

3-ethoxy-2-propenenitrileDTXSID001312068RefChem:501148DTXCID8017418753-ethoxyprop-2-enenitrile2-Propenenitrile, 3-ethoxy-3-ethoxy-acrylonitrileSCHEMBL248098STR01235AKOS028108426DB-053834

Database identifiers

CAS: 61310-53-0
PubChem CID: 43601
DTXSID: DTXSID001312068

Properties

Computed structural propertiesFilling in

XLogP: 0.6
Topological polar surface area: 33 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 97.9

Related reactions

22 records

New reaction record

HRID 104567As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 152278As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 155496As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 212436As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 440943As reactantuspto-grants-1996_05

HRID 573378As reactantuspto-grants-2015_05

HRID 836294As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1081619As reactantuspto-grants-1996_12

Compound notes

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