6-[(E)-prop-1-enyl]pyran-2-one

C8H8O2 — CID 24972239

IUPAC6-[(E)-prop-1-enyl]pyran-2-one
SMILESC/C=C/c1cccc(=O)o1
InChIInChI=1S/C8H8O2/c1-2-4-7-5-3-6-8(9)10-7/h2-6H,1H3/b4-2+
InChIKeyIMJOSRPWZSPQMC-DUXPYHPUSA-N
MW136.15 g/mol
LogP1.67
Rot. Bonds1

About 6-[(E)-prop-1-enyl]pyran-2-one

6-[(E)-prop-1-enyl]pyran-2-one (PubChem CID 24972239) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 6-[(E)-prop-1-enyl]pyran-2-one.

Molecular Properties

Compound Name6-[(E)-prop-1-enyl]pyran-2-one
PubChem CID24972239
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name6-[(E)-prop-1-enyl]pyran-2-one
SMILESC/C=C/c1cccc(=O)o1
InChIInChI=1S/C8H8O2/c1-2-4-7-5-3-6-8(9)10-7/h2-6H,1H3/b4-2+
InChIKeyIMJOSRPWZSPQMC-DUXPYHPUSA-N
XLogP1.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Allyl sorbate
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Protoanemonin
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Propyl sorbate
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Crotonic anhydride
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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
2(5H)-Furanone,4-hexadiynylidene)-
CID 5380631
Triacetate lactone oxoanion
CID 25201324

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-prop-1-enyl]pyran-2-one?
The IUPAC name of 6-[(E)-prop-1-enyl]pyran-2-one (CID 24972239) is 6-[(E)-prop-1-enyl]pyran-2-one.
What is the SMILES notation for 6-[(E)-prop-1-enyl]pyran-2-one?
The canonical SMILES for 6-[(E)-prop-1-enyl]pyran-2-one is C/C=C/c1cccc(=O)o1.
What is the InChIKey of 6-[(E)-prop-1-enyl]pyran-2-one?
The InChIKey is IMJOSRPWZSPQMC-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-4-7-5-3-6-8(9)10-7/h2-6H,1H3/b4-2+.
What are the key properties of 6-[(E)-prop-1-enyl]pyran-2-one?
6-[(E)-prop-1-enyl]pyran-2-one has a molecular weight of 136.15 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-prop-1-enyl]pyran-2-one is sourced from PubChem (CID 24972239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).