(E)-5-piperidin-1-ylpent-3-en-2-one

C10H17NO — CID 14765512

IUPAC(E)-5-piperidin-1-ylpent-3-en-2-one
SMILESCC(=O)/C=C/CN1CCCCC1
InChIInChI=1S/C10H17NO/c1-10(12)6-5-9-11-7-3-2-4-8-11/h5-6H,2-4,7-9H2,1H3/b6-5+
InChIKeyBLNSZSVJZFREGH-AATRIKPKSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds3

About (E)-5-piperidin-1-ylpent-3-en-2-one

(E)-5-piperidin-1-ylpent-3-en-2-one (PubChem CID 14765512) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-5-piperidin-1-ylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-piperidin-1-ylpent-3-en-2-one
PubChem CID14765512
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-5-piperidin-1-ylpent-3-en-2-one
SMILESCC(=O)/C=C/CN1CCCCC1
InChIInChI=1S/C10H17NO/c1-10(12)6-5-9-11-7-3-2-4-8-11/h5-6H,2-4,7-9H2,1H3/b6-5+
InChIKeyBLNSZSVJZFREGH-AATRIKPKSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
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-ylpent-3-en-2-one?
The IUPAC name of (E)-5-piperidin-1-ylpent-3-en-2-one (CID 14765512) is (E)-5-piperidin-1-ylpent-3-en-2-one.
What is the SMILES notation for (E)-5-piperidin-1-ylpent-3-en-2-one?
The canonical SMILES for (E)-5-piperidin-1-ylpent-3-en-2-one is CC(=O)/C=C/CN1CCCCC1.
What is the InChIKey of (E)-5-piperidin-1-ylpent-3-en-2-one?
The InChIKey is BLNSZSVJZFREGH-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(12)6-5-9-11-7-3-2-4-8-11/h5-6H,2-4,7-9H2,1H3/b6-5+.
What are the key properties of (E)-5-piperidin-1-ylpent-3-en-2-one?
(E)-5-piperidin-1-ylpent-3-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.62, 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-ylpent-3-en-2-one is sourced from PubChem (CID 14765512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).