(E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one

C13H23NO2 — CID 11499573

IUPAC(E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one
SMILESC/C=C/C(O)(CCC)C(=O)N1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-8-13(16,9-4-2)12(15)14-10-6-5-7-11-14/h3,8,16H,4-7,9-11H2,1-2H3/b8-3+
InChIKeyJMZHHVSVMGLQPE-FPYGCLRLSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds4

About (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one

(E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one (PubChem CID 11499573) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one.

Molecular Properties

Compound Name(E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one
PubChem CID11499573
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one
SMILESC/C=C/C(O)(CCC)C(=O)N1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-8-13(16,9-4-2)12(15)14-10-6-5-7-11-14/h3,8,16H,4-7,9-11H2,1-2H3/b8-3+
InChIKeyJMZHHVSVMGLQPE-FPYGCLRLSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
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 (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one?
The IUPAC name of (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one (CID 11499573) is (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one.
What is the SMILES notation for (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one?
The canonical SMILES for (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one is C/C=C/C(O)(CCC)C(=O)N1CCCCC1.
What is the InChIKey of (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one?
The InChIKey is JMZHHVSVMGLQPE-FPYGCLRLSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-8-13(16,9-4-2)12(15)14-10-6-5-7-11-14/h3,8,16H,4-7,9-11H2,1-2H3/b8-3+.
What are the key properties of (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one?
(E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-1-piperidin-1-yl-2-propylpent-3-en-1-one is sourced from PubChem (CID 11499573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).