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

C10H14O2 — CID 14709528

IUPAC2-ethyl-1-(furan-2-yl)butan-1-one
SMILESCCC(CC)C(=O)c1ccco1
InChIInChI=1S/C10H14O2/c1-3-8(4-2)10(11)9-6-5-7-12-9/h5-8H,3-4H2,1-2H3
InChIKeyJENJAOLMMVIEEG-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.90
Rot. Bonds4

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

2-ethyl-1-(furan-2-yl)butan-1-one (PubChem CID 14709528) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-ethyl-1-(furan-2-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(furan-2-yl)butan-1-one
PubChem CID14709528
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-ethyl-1-(furan-2-yl)butan-1-one
SMILESCCC(CC)C(=O)c1ccco1
InChIInChI=1S/C10H14O2/c1-3-8(4-2)10(11)9-6-5-7-12-9/h5-8H,3-4H2,1-2H3
InChIKeyJENJAOLMMVIEEG-UHFFFAOYSA-N
XLogP2.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-(furan-2-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
2-bromo-1-(furan-2-yl)butan-1-one
CID 45081165
1-(furan-2-yl)-2-(hydroxymethyl)hexan-1-one
CID 45101558
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate
CID 15759449
ethyl 2-(furan-2-carbonyl)-3-oxobutanoate
CID 2759235
ethyl (3S)-4-(furan-2-yl)-3-methyl-4-oxobutanoate
CID 134968543
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
(2R)-2-(18F)fluoro-1-(furan-2-yl)-2-methoxyethanone
CID 162417007
ethyl 2-benzyl-3-(furan-2-yl)-3-oxopropanoate
CID 3804703
1-(furan-2-yl)-2-methyldecane-1,3-dione
CID 62633228
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(furan-2-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(furan-2-yl)butan-1-one (CID 14709528) is 2-ethyl-1-(furan-2-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(furan-2-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(furan-2-yl)butan-1-one is CCC(CC)C(=O)c1ccco1.
What is the InChIKey of 2-ethyl-1-(furan-2-yl)butan-1-one?
The InChIKey is JENJAOLMMVIEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-8(4-2)10(11)9-6-5-7-12-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-(furan-2-yl)butan-1-one?
2-ethyl-1-(furan-2-yl)butan-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(furan-2-yl)butan-1-one is sourced from PubChem (CID 14709528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).