3-ethyl-5-methyl-3H-furan-2-one

C7H10O2 — CID 10606746

IUPAC3-ethyl-5-methyl-3H-furan-2-one
SMILESCCC1C=C(C)OC1=O
InChIInChI=1S/C7H10O2/c1-3-6-4-5(2)9-7(6)8/h4,6H,3H2,1-2H3
InChIKeyQPEILBHRIKTZDG-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.47
Rot. Bonds1

About 3-ethyl-5-methyl-3H-furan-2-one

3-ethyl-5-methyl-3H-furan-2-one (PubChem CID 10606746) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3-ethyl-5-methyl-3H-furan-2-one.

Molecular Properties

Compound Name3-ethyl-5-methyl-3H-furan-2-one
PubChem CID10606746
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3-ethyl-5-methyl-3H-furan-2-one
SMILESCCC1C=C(C)OC1=O
InChIInChI=1S/C7H10O2/c1-3-6-4-5(2)9-7(6)8/h4,6H,3H2,1-2H3
InChIKeyQPEILBHRIKTZDG-UHFFFAOYSA-N
XLogP1.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-5-methyl-3H-furan-2-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

3,4-Dihydro-6-methyl-2H-pyran-2-one
CID 138034
2(3H)-Furanone, 5-ethyl-
CID 281853
5-Propyl-2(3H)-furanone
CID 213509
(5E)-3,4-dimethyl-5-pentylidene-oxolan-2-one
CID 9855656
2(3H)-Furanone, 5-ethylidenedihydro-
CID 6427098
(5Z)-5-ethylidene-tetrahydro-furan-2-one
CID 13351024
4,6-Dimethyl-3,4-dihydro-2h-pyran-2-one
CID 281857
5-(3-Methylbutyl)-2(3H)-furanone
CID 3028407
(5E)-5-(2-methylbut-3-enylidene)oxolan-2-one
CID 13610468
3,4,5-Trimethyl-2(3h)-furanone
CID 14816435
3,5-ditert-butyl-3H-furan-2-one
CID 59168586
(5Z)-3,3-dimethyl-5-propylideneoxolan-2-one
CID 24864796

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-3H-furan-2-one?
The IUPAC name of 3-ethyl-5-methyl-3H-furan-2-one (CID 10606746) is 3-ethyl-5-methyl-3H-furan-2-one.
What is the SMILES notation for 3-ethyl-5-methyl-3H-furan-2-one?
The canonical SMILES for 3-ethyl-5-methyl-3H-furan-2-one is CCC1C=C(C)OC1=O.
What is the InChIKey of 3-ethyl-5-methyl-3H-furan-2-one?
The InChIKey is QPEILBHRIKTZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-6-4-5(2)9-7(6)8/h4,6H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-3H-furan-2-one?
3-ethyl-5-methyl-3H-furan-2-one has a molecular weight of 126.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-3H-furan-2-one is sourced from PubChem (CID 10606746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).