4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one

C8H10O2 — CID 146684245

IUPAC4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one
SMILESC/C=C/C1=CC(=O)OCC1
InChIInChI=1S/C8H10O2/c1-2-3-7-4-5-10-8(9)6-7/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyKUOMSAOBPORCBU-NSCUHMNNSA-N
MW138.17 g/mol
LogP1.44
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one

4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one (PubChem CID 146684245) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one
PubChem CID146684245
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one
SMILESC/C=C/C1=CC(=O)OCC1
InChIInChI=1S/C8H10O2/c1-2-3-7-4-5-10-8(9)6-7/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyKUOMSAOBPORCBU-NSCUHMNNSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one?
The IUPAC name of 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one (CID 146684245) is 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one is C/C=C/C1=CC(=O)OCC1.
What is the InChIKey of 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one?
The InChIKey is KUOMSAOBPORCBU-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-7-4-5-10-8(9)6-7/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one?
4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one has a molecular weight of 138.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 146684245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).