(E)-5-piperidin-1-ylhex-4-en-3-one

C11H19NO — CID 13378810

IUPAC(E)-5-piperidin-1-ylhex-4-en-3-one
SMILESCCC(=O)/C=C(\C)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-11(13)9-10(2)12-7-5-4-6-8-12/h9H,3-8H2,1-2H3/b10-9+
InChIKeyONSPMLXWCHHWBV-MDZDMXLPSA-N
MW181.28 g/mol
LogP2.36
Rot. Bonds3

About (E)-5-piperidin-1-ylhex-4-en-3-one

(E)-5-piperidin-1-ylhex-4-en-3-one (PubChem CID 13378810) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-5-piperidin-1-ylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-5-piperidin-1-ylhex-4-en-3-one
PubChem CID13378810
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-5-piperidin-1-ylhex-4-en-3-one
SMILESCCC(=O)/C=C(\C)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-3-11(13)9-10(2)12-7-5-4-6-8-12/h9H,3-8H2,1-2H3/b10-9+
InChIKeyONSPMLXWCHHWBV-MDZDMXLPSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
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)-5-piperidin-1-ylhex-4-en-3-one?
The IUPAC name of (E)-5-piperidin-1-ylhex-4-en-3-one (CID 13378810) is (E)-5-piperidin-1-ylhex-4-en-3-one.
What is the SMILES notation for (E)-5-piperidin-1-ylhex-4-en-3-one?
The canonical SMILES for (E)-5-piperidin-1-ylhex-4-en-3-one is CCC(=O)/C=C(\C)N1CCCCC1.
What is the InChIKey of (E)-5-piperidin-1-ylhex-4-en-3-one?
The InChIKey is ONSPMLXWCHHWBV-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-11(13)9-10(2)12-7-5-4-6-8-12/h9H,3-8H2,1-2H3/b10-9+.
What are the key properties of (E)-5-piperidin-1-ylhex-4-en-3-one?
(E)-5-piperidin-1-ylhex-4-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-piperidin-1-ylhex-4-en-3-one is sourced from PubChem (CID 13378810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).