4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one

C13H12O2 — CID 66643947

IUPAC4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one
SMILESC=Cc1ccc2c(c1C1CC1)COC2=O
InChIInChI=1S/C13H12O2/c1-2-8-5-6-10-11(7-15-13(10)14)12(8)9-3-4-9/h2,5-6,9H,1,3-4,7H2
InChIKeyZOURXKFZPQSQIV-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.88
Rot. Bonds2

About 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one

4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one (PubChem CID 66643947) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one
PubChem CID66643947
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one
SMILESC=Cc1ccc2c(c1C1CC1)COC2=O
InChIInChI=1S/C13H12O2/c1-2-8-5-6-10-11(7-15-13(10)14)12(8)9-3-4-9/h2,5-6,9H,1,3-4,7H2
InChIKeyZOURXKFZPQSQIV-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one?
The IUPAC name of 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one (CID 66643947) is 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one?
The canonical SMILES for 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one is C=Cc1ccc2c(c1C1CC1)COC2=O.
What is the InChIKey of 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one?
The InChIKey is ZOURXKFZPQSQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-8-5-6-10-11(7-15-13(10)14)12(8)9-3-4-9/h2,5-6,9H,1,3-4,7H2.
What are the key properties of 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one?
4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-ethenyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 66643947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).