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

C13H12O3 — CID 12926044

IUPAC5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESCCC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2
InChIInChI=1S/C13H12O3/c1-2-10(14)8-3-4-11-9(7-8)12(15)13(16-11)5-6-13/h3-4,7H,2,5-6H2,1H3
InChIKeyWXYOPJJSFFJAPB-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.39
Rot. Bonds2

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

5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one (PubChem CID 12926044) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one
PubChem CID12926044
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one
SMILESCCC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2
InChIInChI=1S/C13H12O3/c1-2-10(14)8-3-4-11-9(7-8)12(15)13(16-11)5-6-13/h3-4,7H,2,5-6H2,1H3
InChIKeyWXYOPJJSFFJAPB-UHFFFAOYSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The IUPAC name of 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one (CID 12926044) is 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The canonical SMILES for 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one is CCC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2.
What is the InChIKey of 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one?
The InChIKey is WXYOPJJSFFJAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-10(14)8-3-4-11-9(7-8)12(15)13(16-11)5-6-13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one?
5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one has a molecular weight of 216.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propanoylspiro[1-benzofuran-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 12926044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).