(4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid

C10H17NO2 — CID 130253495

IUPAC(4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid
SMILESCC1CNC/C(=C/CCC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-8-5-9(7-11-6-8)3-2-4-10(12)13/h3,8,11H,2,4-7H2,1H3,(H,12,13)/b9-3+
InChIKeyKZVVOSZHZHHLPB-YCRREMRBSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds3

About (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid

(4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid (PubChem CID 130253495) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid.

Molecular Properties

Compound Name(4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid
PubChem CID130253495
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid
SMILESCC1CNC/C(=C/CCC(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-8-5-9(7-11-6-8)3-2-4-10(12)13/h3,8,11H,2,4-7H2,1H3,(H,12,13)/b9-3+
InChIKeyKZVVOSZHZHHLPB-YCRREMRBSA-N
XLogP1.41
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 ≤ 51.41
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 (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid?
The IUPAC name of (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid (CID 130253495) is (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid.
What is the SMILES notation for (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid?
The canonical SMILES for (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid is CC1CNC/C(=C/CCC(=O)O)C1.
What is the InChIKey of (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid?
The InChIKey is KZVVOSZHZHHLPB-YCRREMRBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-5-9(7-11-6-8)3-2-4-10(12)13/h3,8,11H,2,4-7H2,1H3,(H,12,13)/b9-3+.
What are the key properties of (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid?
(4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(5-methylpiperidin-3-ylidene)butanoic acid is sourced from PubChem (CID 130253495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).