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

C10H14INO — CID 134893333

IUPAC(2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/I)N1CCCCC1
InChIInChI=1S/C10H14INO/c11-7-3-2-6-10(13)12-8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9H2/b6-2+,7-3+
InChIKeyFUZKCPXMWBPPGK-YPCIICBESA-N
MW291.13 g/mol
LogP2.50
Rot. Bonds2

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

(2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 134893333) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID134893333
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name(2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/I)N1CCCCC1
InChIInChI=1S/C10H14INO/c11-7-3-2-6-10(13)12-8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9H2/b6-2+,7-3+
InChIKeyFUZKCPXMWBPPGK-YPCIICBESA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(azonan-1-yl)but-2-en-1-one
CID 174056806
1-piperidin-1-yldeca-2,4,8-trien-1-one
CID 163073268
5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 86001004
(2E,4E)-6-(1,3-dioxolan-2-yl)-1-pyrrolidin-1-ylhexa-2,4-dien-1-one
CID 134988858
butane;(E)-1-piperidin-1-ylbut-2-en-1-one
CID 142213243
1-pyrrolidin-1-ylicosa-2,4,14-trien-1-one
CID 76515599
(3R)-1-[(4E)-hexa-2,4-dienoyl]piperidine-3-carboxylic acid
CID 81119200
(E)-3-cyclobutyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 131234525
(2E)-1-piperidin-1-ylhepta-2,6-dien-1-one
CID 90335627
4-methoxy-1-piperidin-1-ylbut-2-en-1-one
CID 154463979
(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one
CID 126491189

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one (CID 134893333) is (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one is O=C(/C=C/C=C/I)N1CCCCC1.
What is the InChIKey of (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is FUZKCPXMWBPPGK-YPCIICBESA-N. The full InChI is InChI=1S/C10H14INO/c11-7-3-2-6-10(13)12-8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9H2/b6-2+,7-3+.
What are the key properties of (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one?
(2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 291.13 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 134893333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).