2-(4-Carboxy-1-piperidylmethyl)propenenitrile

HCID 13037608
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Basic information

Standard SMILES
C=C(C#N)CN1CCC(C(=O)O)CC1
InChIKey
QTDDQMUNSRFTHJ-UHFFFAOYSA-N
Molecular formula
C10H14N2O2
Average molar mass
194.23 g/mol

Names & identifiers

Preferred name
2-(4-Carboxy-1-piperidylmethyl)propenenitrile
IUPAC
1-(2-cyanoprop-2-enyl)piperidine-4-carboxylic acid

Names & synonyms

SCHEMBL11174725QTDDQMUNSRFTHJ-UHFFFAOYSA-N71976-52-8DA-314022-(4-Carboxy-1-piperidylmethyl)propenenitrile

Database identifiers

PubChem CID
13037608

Properties

Computed structural properties

XLogP
-1.8
Topological polar surface area
64.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
14

Related reactions

5 records
New reaction record

Linked notes

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