4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one

C10H10O2 — CID 53436426

IUPAC4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one
SMILESO=C1CC(C2C=CC=CC2)=CO1
InChIInChI=1S/C10H10O2/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-4,7-8H,5-6H2
InChIKeyFAPVNUXHDLLVMD-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.95
Rot. Bonds1

About 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one

4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one (PubChem CID 53436426) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one
PubChem CID53436426
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one
SMILESO=C1CC(C2C=CC=CC2)=CO1
InChIInChI=1S/C10H10O2/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-4,7-8H,5-6H2
InChIKeyFAPVNUXHDLLVMD-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one (CID 53436426) is 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one is O=C1CC(C2C=CC=CC2)=CO1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one?
The InChIKey is FAPVNUXHDLLVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-4,7-8H,5-6H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one?
4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-3H-furan-2-one is sourced from PubChem (CID 53436426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).