5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one

C10H7ClO2 — CID 3055473

IUPAC5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESO=C1c2cc(Cl)ccc2OC12CC2
InChIInChI=1S/C10H7ClO2/c11-6-1-2-8-7(5-6)9(12)10(13-8)3-4-10/h1-2,5H,3-4H2
InChIKeyVWQDVLIXBUWMIV-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.45
Rot. Bonds

About 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one

5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one (PubChem CID 3055473) has the molecular formula C10H7ClO2 and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
PubChem CID3055473
Molecular FormulaC10H7ClO2
Molecular Weight194.62 g/mol
Exact Mass194.01
IUPAC Name5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESO=C1c2cc(Cl)ccc2OC12CC2
InChIInChI=1S/C10H7ClO2/c11-6-1-2-8-7(5-6)9(12)10(13-8)3-4-10/h1-2,5H,3-4H2
InChIKeyVWQDVLIXBUWMIV-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The IUPAC name of 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one (CID 3055473) is 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The canonical SMILES for 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one is O=C1c2cc(Cl)ccc2OC12CC2.
What is the InChIKey of 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The InChIKey is VWQDVLIXBUWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2/c11-6-1-2-8-7(5-6)9(12)10(13-8)3-4-10/h1-2,5H,3-4H2.
What are the key properties of 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one?
5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one has a molecular weight of 194.62 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[1-benzofuran-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 3055473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).