2-prop-1-enylfuran-3-one

C7H8O2 — CID 138455534

IUPAC2-prop-1-enylfuran-3-one
SMILESCC=CC1OC=CC1=O
InChIInChI=1S/C7H8O2/c1-2-3-7-6(8)4-5-9-7/h2-5,7H,1H3
InChIKeyKMJLPLADFWENDW-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.04
Rot. Bonds1

About 2-prop-1-enylfuran-3-one

2-prop-1-enylfuran-3-one (PubChem CID 138455534) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-prop-1-enylfuran-3-one.

Molecular Properties

Compound Name2-prop-1-enylfuran-3-one
PubChem CID138455534
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name2-prop-1-enylfuran-3-one
SMILESCC=CC1OC=CC1=O
InChIInChI=1S/C7H8O2/c1-2-3-7-6(8)4-5-9-7/h2-5,7H,1H3
InChIKeyKMJLPLADFWENDW-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enylfuran-3-one?
The IUPAC name of 2-prop-1-enylfuran-3-one (CID 138455534) is 2-prop-1-enylfuran-3-one.
What is the SMILES notation for 2-prop-1-enylfuran-3-one?
The canonical SMILES for 2-prop-1-enylfuran-3-one is CC=CC1OC=CC1=O.
What is the InChIKey of 2-prop-1-enylfuran-3-one?
The InChIKey is KMJLPLADFWENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-3-7-6(8)4-5-9-7/h2-5,7H,1H3.
What are the key properties of 2-prop-1-enylfuran-3-one?
2-prop-1-enylfuran-3-one has a molecular weight of 124.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enylfuran-3-one is sourced from PubChem (CID 138455534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).