2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

C13H19NO3 — CID 120977278

IUPAC2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESC=CC1CCN(C(=O)C2CCC2C(=O)O)CC1
InChIInChI=1S/C13H19NO3/c1-2-9-5-7-14(8-6-9)12(15)10-3-4-11(10)13(16)17/h2,9-11H,1,3-8H2,(H,16,17)
InChIKeyJMRQEJIWDNWHSO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds3

About 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 120977278) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID120977278
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESC=CC1CCN(C(=O)C2CCC2C(=O)O)CC1
InChIInChI=1S/C13H19NO3/c1-2-9-5-7-14(8-6-9)12(15)10-3-4-11(10)13(16)17/h2,9-11H,1,3-8H2,(H,16,17)
InChIKeyJMRQEJIWDNWHSO-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 120977278) is 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is C=CC1CCN(C(=O)C2CCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is JMRQEJIWDNWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-9-5-7-14(8-6-9)12(15)10-3-4-11(10)13(16)17/h2,9-11H,1,3-8H2,(H,16,17).
What are the key properties of 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).