2-propylfuran-3-one

C7H10O2 — CID 139707456

IUPAC2-propylfuran-3-one
SMILESCCCC1OC=CC1=O
InChIInChI=1S/C7H10O2/c1-2-3-7-6(8)4-5-9-7/h4-5,7H,2-3H2,1H3
InChIKeyHQMNGGUAWSSJGV-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.27
Rot. Bonds2

About 2-propylfuran-3-one

2-propylfuran-3-one (PubChem CID 139707456) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-propylfuran-3-one.

Molecular Properties

Compound Name2-propylfuran-3-one
PubChem CID139707456
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-propylfuran-3-one
SMILESCCCC1OC=CC1=O
InChIInChI=1S/C7H10O2/c1-2-3-7-6(8)4-5-9-7/h4-5,7H,2-3H2,1H3
InChIKeyHQMNGGUAWSSJGV-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3(2H)-Furanone, 2-methyl-
CID 6429310
1-(3,4-Dihydro-2H-pyran-2-yl)ethan-1-one
CID 14433377
2H-Pyran-3,4-dione, 2-ethyl-
CID 9870183
2-Pent-4-enylfuran-3-one
CID 145994578
2-Acetylfuran-3-one
CID 18352172
1-(2,3-Dihydrofuran-2-yl)ethanone
CID 70254134
2-Ethylfuran-3-one
CID 117821472
2-Methyl-2-propylfuran-3-one
CID 134497670
2-(2-Methylpropyl)furan-3-one
CID 139707457
1-(2,3-Dihydrofuran-2-yl)butan-1-one
CID 140791264
2-(2,2-Dimethylpropanoyl)furan-3-one
CID 141165299
1-(2,3-Dihydrofuran-2-yl)propan-1-one
CID 164073452

Frequently Asked Questions

What is the IUPAC name of 2-propylfuran-3-one?
The IUPAC name of 2-propylfuran-3-one (CID 139707456) is 2-propylfuran-3-one.
What is the SMILES notation for 2-propylfuran-3-one?
The canonical SMILES for 2-propylfuran-3-one is CCCC1OC=CC1=O.
What is the InChIKey of 2-propylfuran-3-one?
The InChIKey is HQMNGGUAWSSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-3-7-6(8)4-5-9-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 2-propylfuran-3-one?
2-propylfuran-3-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylfuran-3-one is sourced from PubChem (CID 139707456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).