cyclobutyl(2,3-dihydrofuran-4-yl)methanone

C9H12O2 — CID 130579251

IUPACcyclobutyl(2,3-dihydrofuran-4-yl)methanone
SMILESO=C(C1=COCC1)C1CCC1
InChIInChI=1S/C9H12O2/c10-9(7-2-1-3-7)8-4-5-11-6-8/h6-7H,1-5H2
InChIKeyQYNHVGJDSCJKNJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds2

About cyclobutyl(2,3-dihydrofuran-4-yl)methanone

cyclobutyl(2,3-dihydrofuran-4-yl)methanone (PubChem CID 130579251) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is cyclobutyl(2,3-dihydrofuran-4-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(2,3-dihydrofuran-4-yl)methanone
PubChem CID130579251
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namecyclobutyl(2,3-dihydrofuran-4-yl)methanone
SMILESO=C(C1=COCC1)C1CCC1
InChIInChI=1S/C9H12O2/c10-9(7-2-1-3-7)8-4-5-11-6-8/h6-7H,1-5H2
InChIKeyQYNHVGJDSCJKNJ-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058326
1-(2,3-Dihydrofuran-4-yl)-2-methylpropan-1-one
CID 130579192
Cyclopentyl(2,3-dihydrofuran-4-yl)methanone
CID 130579207
1-(2,3-Dihydrofuran-4-yl)-2-methylbutan-1-one
CID 130579240
2,3-Dihydrofuran-4-yl(oxan-4-yl)methanone
CID 130579259
2,3-Dihydrofuran-4-yl(oxan-3-yl)methanone
CID 130579260
2,3-Dihydrofuran-4-yl-(2-methylcyclopropyl)methanone
CID 130579271
2,3-Dihydrofuran-4-yl-(1-methoxycyclobutyl)methanone
CID 130579338
2,3-Dihydrofuran-4-yl-(2,2-dimethylcyclopropyl)methanone
CID 130579391
2-Cyclobutyl-1-(2,3-dihydrofuran-4-yl)ethanone
CID 130579403
2-Cyclopentyl-1-(2,3-dihydrofuran-4-yl)ethanone
CID 130579853
2-Cyclobutyl-1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one
CID 130696822

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(2,3-dihydrofuran-4-yl)methanone?
The IUPAC name of cyclobutyl(2,3-dihydrofuran-4-yl)methanone (CID 130579251) is cyclobutyl(2,3-dihydrofuran-4-yl)methanone.
What is the SMILES notation for cyclobutyl(2,3-dihydrofuran-4-yl)methanone?
The canonical SMILES for cyclobutyl(2,3-dihydrofuran-4-yl)methanone is O=C(C1=COCC1)C1CCC1.
What is the InChIKey of cyclobutyl(2,3-dihydrofuran-4-yl)methanone?
The InChIKey is QYNHVGJDSCJKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(7-2-1-3-7)8-4-5-11-6-8/h6-7H,1-5H2.
What are the key properties of cyclobutyl(2,3-dihydrofuran-4-yl)methanone?
cyclobutyl(2,3-dihydrofuran-4-yl)methanone has a molecular weight of 152.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(2,3-dihydrofuran-4-yl)methanone is sourced from PubChem (CID 130579251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).