cyclobutyl(2,3-dihydrofuran-5-yl)methanone

C9H12O2 — CID 102650952

IUPACcyclobutyl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CCC1
InChIInChI=1S/C9H12O2/c10-9(7-3-1-4-7)8-5-2-6-11-8/h5,7H,1-4,6H2
InChIKeyDTCANSKIGAQFMC-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds2

About cyclobutyl(2,3-dihydrofuran-5-yl)methanone

cyclobutyl(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102650952) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is cyclobutyl(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(2,3-dihydrofuran-5-yl)methanone
PubChem CID102650952
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namecyclobutyl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1CCC1
InChIInChI=1S/C9H12O2/c10-9(7-3-1-4-7)8-5-2-6-11-8/h5,7H,1-4,6H2
InChIKeyDTCANSKIGAQFMC-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

2-Ethoxy-5-methylcyclopent-2-en-1-one
CID 3746604
(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
CID 134933023
Methoxy bicyclo[3.2.0]heptadienone
CID 137796795
(3,3-Difluorocyclobutyl)-(2,3-dihydrofuran-5-yl)methanone
CID 130920810
6-Acetyl-2-ethoxycyclohex-2-en-1-one
CID 59252672
2-Ethoxy-6-ethylcyclohex-2-en-1-one
CID 91377688
5-Cyclobutylfuran-3-one
CID 175786313
5-Butyl-2-ethoxycyclopent-2-en-1-one
CID 4520162
(5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one
CID 10419538
(5S)-2-ethoxy-5-methylcyclopent-2-en-1-one
CID 40526964
2-Ethoxy-4-ethyl-5-methylidenecyclopent-2-en-1-one
CID 71379045
(5E)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one
CID 101673318

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of cyclobutyl(2,3-dihydrofuran-5-yl)methanone (CID 102650952) is cyclobutyl(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for cyclobutyl(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for cyclobutyl(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)C1CCC1.
What is the InChIKey of cyclobutyl(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is DTCANSKIGAQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(7-3-1-4-7)8-5-2-6-11-8/h5,7H,1-4,6H2.
What are the key properties of cyclobutyl(2,3-dihydrofuran-5-yl)methanone?
cyclobutyl(2,3-dihydrofuran-5-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-5-yl)methanone is sourced from PubChem (CID 102650952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).