3-but-3-en-2-ylpiperidine-3-carboxylic acid

C10H17NO2 — CID 88977970

IUPAC3-but-3-en-2-ylpiperidine-3-carboxylic acid
SMILESC=CC(C)C1(C(=O)O)CCCNC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)10(9(12)13)5-4-6-11-7-10/h3,8,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyYRWXZCRHQYPLKB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.26
Rot. Bonds3

About 3-but-3-en-2-ylpiperidine-3-carboxylic acid

3-but-3-en-2-ylpiperidine-3-carboxylic acid (PubChem CID 88977970) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-but-3-en-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-but-3-en-2-ylpiperidine-3-carboxylic acid
PubChem CID88977970
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-but-3-en-2-ylpiperidine-3-carboxylic acid
SMILESC=CC(C)C1(C(=O)O)CCCNC1
InChIInChI=1S/C10H17NO2/c1-3-8(2)10(9(12)13)5-4-6-11-7-10/h3,8,11H,1,4-7H2,2H3,(H,12,13)
InChIKeyYRWXZCRHQYPLKB-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 3-but-3-en-2-ylpiperidine-3-carboxylic acid (CID 88977970) is 3-but-3-en-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-but-3-en-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-but-3-en-2-ylpiperidine-3-carboxylic acid is C=CC(C)C1(C(=O)O)CCCNC1.
What is the InChIKey of 3-but-3-en-2-ylpiperidine-3-carboxylic acid?
The InChIKey is YRWXZCRHQYPLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8(2)10(9(12)13)5-4-6-11-7-10/h3,8,11H,1,4-7H2,2H3,(H,12,13).
What are the key properties of 3-but-3-en-2-ylpiperidine-3-carboxylic acid?
3-but-3-en-2-ylpiperidine-3-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 88977970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).