(2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

C14H17NO2 — CID 147045454

IUPAC(2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccco1)N1CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(15-10-4-1-5-11-15)9-3-2-7-13-8-6-12-17-13/h2-3,6-9,12H,1,4-5,10-11H2/b7-2+,9-3+
InChIKeyBAGWBRRTKRACFE-XHAWQVTESA-N
MW231.30 g/mol
LogP2.86
Rot. Bonds3

About (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

(2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 147045454) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID147045454
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccco1)N1CCCCC1
InChIInChI=1S/C14H17NO2/c16-14(15-10-4-1-5-11-15)9-3-2-7-13-8-6-12-17-13/h2-3,6-9,12H,1,4-5,10-11H2/b7-2+,9-3+
InChIKeyBAGWBRRTKRACFE-XHAWQVTESA-N
XLogP2.86
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one (CID 147045454) is (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one is O=C(/C=C/C=C/c1ccco1)N1CCCCC1.
What is the InChIKey of (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is BAGWBRRTKRACFE-XHAWQVTESA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(15-10-4-1-5-11-15)9-3-2-7-13-8-6-12-17-13/h2-3,6-9,12H,1,4-5,10-11H2/b7-2+,9-3+.
What are the key properties of (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
(2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(furan-2-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 147045454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).