1-cyclobutyl-3-(furan-3-yl)propan-2-one

C11H14O2 — CID 103168049

IUPAC1-cyclobutyl-3-(furan-3-yl)propan-2-one
SMILESO=C(Cc1ccoc1)CC1CCC1
InChIInChI=1S/C11H14O2/c12-11(6-9-2-1-3-9)7-10-4-5-13-8-10/h4-5,8-9H,1-3,6-7H2
InChIKeyZIOOMTMWXNSCMU-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.58
Rot. Bonds4

About 1-cyclobutyl-3-(furan-3-yl)propan-2-one

1-cyclobutyl-3-(furan-3-yl)propan-2-one (PubChem CID 103168049) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-cyclobutyl-3-(furan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(furan-3-yl)propan-2-one
PubChem CID103168049
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-cyclobutyl-3-(furan-3-yl)propan-2-one
SMILESO=C(Cc1ccoc1)CC1CCC1
InChIInChI=1S/C11H14O2/c12-11(6-9-2-1-3-9)7-10-4-5-13-8-10/h4-5,8-9H,1-3,6-7H2
InChIKeyZIOOMTMWXNSCMU-UHFFFAOYSA-N
XLogP2.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 36284
1-(3-Furyl)-4-methyl-1-pentanone
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Egomaketone
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1-(Furan-3-yl)-4-hydroxy-4,8-dimethylnonane-1,6-dione
CID 41493
Furanogermenone
CID 6439596
1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one
CID 99899
Lepalone
CID 535169
Ipomeanine
CID 100689
Elsholtziaketone
CID 521240
4-Methyl-1-((2S,5R)-2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-2-pentanone
CID 120744
Dihydromyoporone
CID 51551

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(furan-3-yl)propan-2-one?
The IUPAC name of 1-cyclobutyl-3-(furan-3-yl)propan-2-one (CID 103168049) is 1-cyclobutyl-3-(furan-3-yl)propan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-(furan-3-yl)propan-2-one?
The canonical SMILES for 1-cyclobutyl-3-(furan-3-yl)propan-2-one is O=C(Cc1ccoc1)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(furan-3-yl)propan-2-one?
The InChIKey is ZIOOMTMWXNSCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11(6-9-2-1-3-9)7-10-4-5-13-8-10/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 1-cyclobutyl-3-(furan-3-yl)propan-2-one?
1-cyclobutyl-3-(furan-3-yl)propan-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(furan-3-yl)propan-2-one is sourced from PubChem (CID 103168049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).