(E)-3-piperidin-4-ylprop-2-enoic acid

C8H13NO2 — CID 10057737

IUPAC(E)-3-piperidin-4-ylprop-2-enoic acid
SMILESO=C(O)/C=C/C1CCNCC1
InChIInChI=1S/C8H13NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-2,7,9H,3-6H2,(H,10,11)/b2-1+
InChIKeyMMRMBXMGHPUYTF-OWOJBTEDSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds2

About (E)-3-piperidin-4-ylprop-2-enoic acid

(E)-3-piperidin-4-ylprop-2-enoic acid (PubChem CID 10057737) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-3-piperidin-4-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-piperidin-4-ylprop-2-enoic acid
PubChem CID10057737
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-3-piperidin-4-ylprop-2-enoic acid
SMILESO=C(O)/C=C/C1CCNCC1
InChIInChI=1S/C8H13NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-2,7,9H,3-6H2,(H,10,11)/b2-1+
InChIKeyMMRMBXMGHPUYTF-OWOJBTEDSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-piperidin-4-ylprop-2-enoic acid?
The IUPAC name of (E)-3-piperidin-4-ylprop-2-enoic acid (CID 10057737) is (E)-3-piperidin-4-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-piperidin-4-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-piperidin-4-ylprop-2-enoic acid is O=C(O)/C=C/C1CCNCC1.
What is the InChIKey of (E)-3-piperidin-4-ylprop-2-enoic acid?
The InChIKey is MMRMBXMGHPUYTF-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-2,7,9H,3-6H2,(H,10,11)/b2-1+.
What are the key properties of (E)-3-piperidin-4-ylprop-2-enoic acid?
(E)-3-piperidin-4-ylprop-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-piperidin-4-ylprop-2-enoic acid is sourced from PubChem (CID 10057737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).