1-(furan-2-yl)butan-2-one

C8H10O2 — CID 546033

IUPAC1-(furan-2-yl)butan-2-one
SMILESCCC(=O)Cc1ccco1
InChIInChI=1S/C8H10O2/c1-2-7(9)6-8-4-3-5-10-8/h3-5H,2,6H2,1H3
InChIKeyGLDGYLKTISAERO-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.80
Rot. Bonds3

About 1-(furan-2-yl)butan-2-one

1-(furan-2-yl)butan-2-one (PubChem CID 546033) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(furan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)butan-2-one
PubChem CID546033
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(furan-2-yl)butan-2-one
SMILESCCC(=O)Cc1ccco1
InChIInChI=1S/C8H10O2/c1-2-7(9)6-8-4-3-5-10-8/h3-5H,2,6H2,1H3
InChIKeyGLDGYLKTISAERO-UHFFFAOYSA-N
XLogP1.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)butan-2-one?
The IUPAC name of 1-(furan-2-yl)butan-2-one (CID 546033) is 1-(furan-2-yl)butan-2-one.
What is the SMILES notation for 1-(furan-2-yl)butan-2-one?
The canonical SMILES for 1-(furan-2-yl)butan-2-one is CCC(=O)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)butan-2-one?
The InChIKey is GLDGYLKTISAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-7(9)6-8-4-3-5-10-8/h3-5H,2,6H2,1H3.
What are the key properties of 1-(furan-2-yl)butan-2-one?
1-(furan-2-yl)butan-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)butan-2-one is sourced from PubChem (CID 546033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).