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

C10H10O2 — CID 68538197

IUPAC3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one
SMILESO=C1OC=CC1C1C=CC=CC1
InChIInChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-4,6-9H,5H2
InChIKeyOXMUTNPYGBTDRC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.81
Rot. Bonds1

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

3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one (PubChem CID 68538197) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one
PubChem CID68538197
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one
SMILESO=C1OC=CC1C1C=CC=CC1
InChIInChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-4,6-9H,5H2
InChIKeyOXMUTNPYGBTDRC-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one (CID 68538197) is 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one is O=C1OC=CC1C1C=CC=CC1.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one?
The InChIKey is OXMUTNPYGBTDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-4,6-9H,5H2.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one?
3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-3H-furan-2-one is sourced from PubChem (CID 68538197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).