1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid

C10H15NO3 — CID 24705580

IUPAC1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid
SMILESC/C=C/C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-4-9(12)11-6-3-5-8(7-11)10(13)14/h2,4,8H,3,5-7H2,1H3,(H,13,14)/b4-2+
InChIKeyRZRZFJYKWGIYHI-DUXPYHPUSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds2

About 1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid

1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid (PubChem CID 24705580) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid
PubChem CID24705580
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid
SMILESC/C=C/C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-2-4-9(12)11-6-3-5-8(7-11)10(13)14/h2,4,8H,3,5-7H2,1H3,(H,13,14)/b4-2+
InChIKeyRZRZFJYKWGIYHI-DUXPYHPUSA-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-3-carboxylic acid?
The IUPAC name of 1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid (CID 24705580) is 1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid is C/C=C/C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid?
The InChIKey is RZRZFJYKWGIYHI-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-4-9(12)11-6-3-5-8(7-11)10(13)14/h2,4,8H,3,5-7H2,1H3,(H,13,14)/b4-2+.
What are the key properties of 1-[(E)-but-2-enoyl]piperidine-3-carboxylic acid?
1-[(E)-but-2-enoyl]piperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 24705580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).