(E)-3-piperidin-1-ylprop-2-enoic acid

C8H13NO2 — CID 21292232

IUPAC(E)-3-piperidin-1-ylprop-2-enoic acid
SMILESO=C(O)/C=C/N1CCCCC1
InChIInChI=1S/C8H13NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h4,7H,1-3,5-6H2,(H,10,11)/b7-4+
InChIKeyOEANIBRCPRAAKC-QPJJXVBHSA-N
MW155.20 g/mol
LogP1.07
Rot. Bonds2

About (E)-3-piperidin-1-ylprop-2-enoic acid

(E)-3-piperidin-1-ylprop-2-enoic acid (PubChem CID 21292232) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-3-piperidin-1-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-piperidin-1-ylprop-2-enoic acid
PubChem CID21292232
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(E)-3-piperidin-1-ylprop-2-enoic acid
SMILESO=C(O)/C=C/N1CCCCC1
InChIInChI=1S/C8H13NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h4,7H,1-3,5-6H2,(H,10,11)/b7-4+
InChIKeyOEANIBRCPRAAKC-QPJJXVBHSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
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-1-ylprop-2-enoic acid?
The IUPAC name of (E)-3-piperidin-1-ylprop-2-enoic acid (CID 21292232) is (E)-3-piperidin-1-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-piperidin-1-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-piperidin-1-ylprop-2-enoic acid is O=C(O)/C=C/N1CCCCC1.
What is the InChIKey of (E)-3-piperidin-1-ylprop-2-enoic acid?
The InChIKey is OEANIBRCPRAAKC-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)4-7-9-5-2-1-3-6-9/h4,7H,1-3,5-6H2,(H,10,11)/b7-4+.
What are the key properties of (E)-3-piperidin-1-ylprop-2-enoic acid?
(E)-3-piperidin-1-ylprop-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-piperidin-1-ylprop-2-enoic acid is sourced from PubChem (CID 21292232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).