1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid

C10H15NO3 — CID 24698061

IUPAC1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
SMILESC/C=C/C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H15NO3/c1-2-3-9(12)11-6-4-8(5-7-11)10(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+
InChIKeyOCYOXQWYTVAXQY-NSCUHMNNSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds2

About 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid

1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid (PubChem CID 24698061) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
PubChem CID24698061
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
SMILESC/C=C/C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H15NO3/c1-2-3-9(12)11-6-4-8(5-7-11)10(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+
InChIKeyOCYOXQWYTVAXQY-NSCUHMNNSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid (CID 24698061) is 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid is C/C=C/C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid?
The InChIKey is OCYOXQWYTVAXQY-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-9(12)11-6-4-8(5-7-11)10(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+.
What are the key properties of 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid?
1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 24698061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).