2-(cyclobuten-1-yl)-1-benzofuran-3-one

C12H10O2 — CID 150653122

IUPAC2-(cyclobuten-1-yl)-1-benzofuran-3-one
SMILESO=C1c2ccccc2OC1C1=CCC1
InChIInChI=1S/C12H10O2/c13-11-9-6-1-2-7-10(9)14-12(11)8-4-3-5-8/h1-2,4,6-7,12H,3,5H2
InChIKeyJCHLKEQNQKZRCS-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.35
Rot. Bonds1

About 2-(cyclobuten-1-yl)-1-benzofuran-3-one

2-(cyclobuten-1-yl)-1-benzofuran-3-one (PubChem CID 150653122) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(cyclobuten-1-yl)-1-benzofuran-3-one.

Molecular Properties

Compound Name2-(cyclobuten-1-yl)-1-benzofuran-3-one
PubChem CID150653122
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name2-(cyclobuten-1-yl)-1-benzofuran-3-one
SMILESO=C1c2ccccc2OC1C1=CCC1
InChIInChI=1S/C12H10O2/c13-11-9-6-1-2-7-10(9)14-12(11)8-4-3-5-8/h1-2,4,6-7,12H,3,5H2
InChIKeyJCHLKEQNQKZRCS-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.35
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-(cyclobuten-1-yl)-1-benzofuran-3-one?
The IUPAC name of 2-(cyclobuten-1-yl)-1-benzofuran-3-one (CID 150653122) is 2-(cyclobuten-1-yl)-1-benzofuran-3-one.
What is the SMILES notation for 2-(cyclobuten-1-yl)-1-benzofuran-3-one?
The canonical SMILES for 2-(cyclobuten-1-yl)-1-benzofuran-3-one is O=C1c2ccccc2OC1C1=CCC1.
What is the InChIKey of 2-(cyclobuten-1-yl)-1-benzofuran-3-one?
The InChIKey is JCHLKEQNQKZRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-11-9-6-1-2-7-10(9)14-12(11)8-4-3-5-8/h1-2,4,6-7,12H,3,5H2.
What are the key properties of 2-(cyclobuten-1-yl)-1-benzofuran-3-one?
2-(cyclobuten-1-yl)-1-benzofuran-3-one has a molecular weight of 186.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobuten-1-yl)-1-benzofuran-3-one is sourced from PubChem (CID 150653122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).