1-(2,5-dihydrofuran-2-yl)propan-2-one

C7H10O2 — CID 14352521

IUPAC1-(2,5-dihydrofuran-2-yl)propan-2-one
SMILESCC(=O)CC1C=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)5-7-3-2-4-9-7/h2-3,7H,4-5H2,1H3
InChIKeyAEJCBANCTMGQHU-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds2

About 1-(2,5-dihydrofuran-2-yl)propan-2-one

1-(2,5-dihydrofuran-2-yl)propan-2-one (PubChem CID 14352521) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(2,5-dihydrofuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,5-dihydrofuran-2-yl)propan-2-one
PubChem CID14352521
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(2,5-dihydrofuran-2-yl)propan-2-one
SMILESCC(=O)CC1C=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)5-7-3-2-4-9-7/h2-3,7H,4-5H2,1H3
InChIKeyAEJCBANCTMGQHU-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Oxocyclopent-2-en-1-yl acetate
CID 343117
2-Cyclopenten-1-one, 4-methoxy-
CID 543069
(4R)-4-(Acetyloxy)-2-cyclopenten-1-one
CID 9877391
4-Methoxyhex-5-en-2-one
CID 13793781
3-Ethoxy-4-hexenal
CID 129802049
(6E)-5-ethoxyocta-1,6-dien-3-one
CID 11008318
(4R)-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 11804980
4-Propan-2-yloxycyclopent-2-en-1-one
CID 15143065
(s)-(+)-Methyl 4-oxocyclopent-2-ene acetate
CID 129654347
ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate
CID 134959106
CID 135044274
CID 135044274
methyl 2-[(2R,5R)-5-ethyl-2,5-dihydrofuran-2-yl]acetate
CID 10773471

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydrofuran-2-yl)propan-2-one?
The IUPAC name of 1-(2,5-dihydrofuran-2-yl)propan-2-one (CID 14352521) is 1-(2,5-dihydrofuran-2-yl)propan-2-one.
What is the SMILES notation for 1-(2,5-dihydrofuran-2-yl)propan-2-one?
The canonical SMILES for 1-(2,5-dihydrofuran-2-yl)propan-2-one is CC(=O)CC1C=CCO1.
What is the InChIKey of 1-(2,5-dihydrofuran-2-yl)propan-2-one?
The InChIKey is AEJCBANCTMGQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(8)5-7-3-2-4-9-7/h2-3,7H,4-5H2,1H3.
What are the key properties of 1-(2,5-dihydrofuran-2-yl)propan-2-one?
1-(2,5-dihydrofuran-2-yl)propan-2-one has a molecular weight of 126.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydrofuran-2-yl)propan-2-one is sourced from PubChem (CID 14352521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).