6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one

C10H10O2 — CID 146683527

IUPAC6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
SMILESC/C=C/C=C/c1cccc(=O)o1
InChIInChI=1S/C10H10O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-8H,1H3/b3-2+,6-4+
InChIKeyFYCIBTJXTGWCRP-WJPDYIDTSA-N
MW162.19 g/mol
LogP2.23
Rot. Bonds2

About 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one

6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one (PubChem CID 146683527) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one.

Molecular Properties

Compound Name6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
PubChem CID146683527
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
SMILESC/C=C/C=C/c1cccc(=O)o1
InChIInChI=1S/C10H10O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-8H,1H3/b3-2+,6-4+
InChIKeyFYCIBTJXTGWCRP-WJPDYIDTSA-N
XLogP2.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl sorbate
CID 1550470
Allyl sorbate
CID 6435833
Methyltriacetolactone
CID 12651
Protoanemonin
CID 66948
Propyl sorbate
CID 5368950
Crotonic anhydride
CID 6049834
2,4-Hexadienoic acid, 1-methylethyl ester
CID 5368972
2-Butenoic acid, 1,1'-anhydride
CID 12189
Ethyl hexa-2,4-dienoate
CID 16970
Matricaria lactone
CID 6277481
(4Z)-Lachnophyllum Lactone
CID 5380634
6-Propyl-2h-pyran-2-one
CID 6610108

Frequently Asked Questions

What is the IUPAC name of 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The IUPAC name of 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one (CID 146683527) is 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one.
What is the SMILES notation for 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The canonical SMILES for 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one is C/C=C/C=C/c1cccc(=O)o1.
What is the InChIKey of 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
The InChIKey is FYCIBTJXTGWCRP-WJPDYIDTSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h2-8H,1H3/b3-2+,6-4+.
What are the key properties of 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one?
6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one has a molecular weight of 162.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one is sourced from PubChem (CID 146683527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).