(E)-4-piperidin-1-ylpent-3-en-2-one

C10H17NO — CID 11137514

IUPAC(E)-4-piperidin-1-ylpent-3-en-2-one
SMILESCC(=O)/C=C(\C)N1CCCCC1
InChIInChI=1S/C10H17NO/c1-9(8-10(2)12)11-6-4-3-5-7-11/h8H,3-7H2,1-2H3/b9-8+
InChIKeyKPBWXUYECPIFDF-CMDGGOBGSA-N
MW167.25 g/mol
LogP1.97
Rot. Bonds2

About (E)-4-piperidin-1-ylpent-3-en-2-one

(E)-4-piperidin-1-ylpent-3-en-2-one (PubChem CID 11137514) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-4-piperidin-1-ylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-piperidin-1-ylpent-3-en-2-one
PubChem CID11137514
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-4-piperidin-1-ylpent-3-en-2-one
SMILESCC(=O)/C=C(\C)N1CCCCC1
InChIInChI=1S/C10H17NO/c1-9(8-10(2)12)11-6-4-3-5-7-11/h8H,3-7H2,1-2H3/b9-8+
InChIKeyKPBWXUYECPIFDF-CMDGGOBGSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.97
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)-4-piperidin-1-ylpent-3-en-2-one?
The IUPAC name of (E)-4-piperidin-1-ylpent-3-en-2-one (CID 11137514) is (E)-4-piperidin-1-ylpent-3-en-2-one.
What is the SMILES notation for (E)-4-piperidin-1-ylpent-3-en-2-one?
The canonical SMILES for (E)-4-piperidin-1-ylpent-3-en-2-one is CC(=O)/C=C(\C)N1CCCCC1.
What is the InChIKey of (E)-4-piperidin-1-ylpent-3-en-2-one?
The InChIKey is KPBWXUYECPIFDF-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(8-10(2)12)11-6-4-3-5-7-11/h8H,3-7H2,1-2H3/b9-8+.
What are the key properties of (E)-4-piperidin-1-ylpent-3-en-2-one?
(E)-4-piperidin-1-ylpent-3-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-piperidin-1-ylpent-3-en-2-one is sourced from PubChem (CID 11137514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).