1-(furan-2-yl)pentan-3-one

C9H12O2 — CID 14561591

IUPAC1-(furan-2-yl)pentan-3-one
SMILESCCC(=O)CCc1ccco1
InChIInChI=1S/C9H12O2/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7H,2,5-6H2,1H3
InChIKeyAMBBSXGLKUJWPV-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.19
Rot. Bonds4

About 1-(furan-2-yl)pentan-3-one

1-(furan-2-yl)pentan-3-one (PubChem CID 14561591) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(furan-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(furan-2-yl)pentan-3-one
PubChem CID14561591
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-(furan-2-yl)pentan-3-one
SMILESCCC(=O)CCc1ccco1
InChIInChI=1S/C9H12O2/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7H,2,5-6H2,1H3
InChIKeyAMBBSXGLKUJWPV-UHFFFAOYSA-N
XLogP2.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.19
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)pentan-3-one?
The IUPAC name of 1-(furan-2-yl)pentan-3-one (CID 14561591) is 1-(furan-2-yl)pentan-3-one.
What is the SMILES notation for 1-(furan-2-yl)pentan-3-one?
The canonical SMILES for 1-(furan-2-yl)pentan-3-one is CCC(=O)CCc1ccco1.
What is the InChIKey of 1-(furan-2-yl)pentan-3-one?
The InChIKey is AMBBSXGLKUJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-8(10)5-6-9-4-3-7-11-9/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(furan-2-yl)pentan-3-one?
1-(furan-2-yl)pentan-3-one has a molecular weight of 152.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)pentan-3-one is sourced from PubChem (CID 14561591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).