2-But-3-enylpiperidine-1-carboxylic acid

C10H17NO2 — CID 66895705

IUPAC2-but-3-enylpiperidine-1-carboxylic acid
SMILESC=CCCC1CCCCN1C(=O)O
InChIInChI=1S/C10H17NO2/c1-2-3-6-9-7-4-5-8-11(9)10(12)13/h2,9H,1,3-8H2,(H,12,13)
InChIKeyAWYLORRZYFNTET-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.20
Rot. Bonds3

About 2-But-3-enylpiperidine-1-carboxylic acid

2-But-3-enylpiperidine-1-carboxylic acid (PubChem CID 66895705) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-but-3-enylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-But-3-enylpiperidine-1-carboxylic acid
PubChem CID66895705
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-but-3-enylpiperidine-1-carboxylic acid
SMILESC=CCCC1CCCCN1C(=O)O
InChIInChI=1S/C10H17NO2/c1-2-3-6-9-7-4-5-8-11(9)10(12)13/h2,9H,1,3-8H2,(H,12,13)
InChIKeyAWYLORRZYFNTET-UHFFFAOYSA-N
XLogP2.20
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity191

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.20
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-But-3-enylpiperidine-1-carboxylic acid?
The IUPAC name of 2-But-3-enylpiperidine-1-carboxylic acid (CID 66895705) is 2-but-3-enylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-But-3-enylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-But-3-enylpiperidine-1-carboxylic acid is C=CCCC1CCCCN1C(=O)O.
What is the InChIKey of 2-But-3-enylpiperidine-1-carboxylic acid?
The InChIKey is AWYLORRZYFNTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-6-9-7-4-5-8-11(9)10(12)13/h2,9H,1,3-8H2,(H,12,13).
What are the key properties of 2-But-3-enylpiperidine-1-carboxylic acid?
2-But-3-enylpiperidine-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-But-3-enylpiperidine-1-carboxylic acid is sourced from PubChem (CID 66895705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).