but-2-enoic acid;1-ethylpiperidine

C11H21NO2 — CID 70245365

IUPACbut-2-enoic acid;1-ethylpiperidine
SMILESCC=CC(=O)O.CCN1CCCCC1
InChIInChI=1S/C7H15N.C4H6O2/c1-2-8-6-4-3-5-7-8;1-2-3-4(5)6/h2-7H2,1H3;2-3H,1H3,(H,5,6)
InChIKeyQDLDXHZRNHUBQM-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.14
Rot. Bonds2

About but-2-enoic acid;1-ethylpiperidine

but-2-enoic acid;1-ethylpiperidine (PubChem CID 70245365) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is but-2-enoic acid;1-ethylpiperidine.

Molecular Properties

Compound Namebut-2-enoic acid;1-ethylpiperidine
PubChem CID70245365
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebut-2-enoic acid;1-ethylpiperidine
SMILESCC=CC(=O)O.CCN1CCCCC1
InChIInChI=1S/C7H15N.C4H6O2/c1-2-8-6-4-3-5-7-8;1-2-3-4(5)6/h2-7H2,1H3;2-3H,1H3,(H,5,6)
InChIKeyQDLDXHZRNHUBQM-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-2-enoic acid;1-ethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of but-2-enoic acid;1-ethylpiperidine?
The IUPAC name of but-2-enoic acid;1-ethylpiperidine (CID 70245365) is but-2-enoic acid;1-ethylpiperidine.
What is the SMILES notation for but-2-enoic acid;1-ethylpiperidine?
The canonical SMILES for but-2-enoic acid;1-ethylpiperidine is CC=CC(=O)O.CCN1CCCCC1.
What is the InChIKey of but-2-enoic acid;1-ethylpiperidine?
The InChIKey is QDLDXHZRNHUBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C4H6O2/c1-2-8-6-4-3-5-7-8;1-2-3-4(5)6/h2-7H2,1H3;2-3H,1H3,(H,5,6).
What are the key properties of but-2-enoic acid;1-ethylpiperidine?
but-2-enoic acid;1-ethylpiperidine has a molecular weight of 199.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoic acid;1-ethylpiperidine is sourced from PubChem (CID 70245365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).