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

C11H14O2 — CID 105133720

IUPAC1-cyclobutyl-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)C1CCC1
InChIInChI=1S/C11H14O2/c12-11(9-3-1-4-9)7-6-10-5-2-8-13-10/h2,5,8-9H,1,3-4,6-7H2
InChIKeyQJYREJXODVQLNT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.58
Rot. Bonds4

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

1-cyclobutyl-3-(furan-2-yl)propan-1-one (PubChem CID 105133720) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-cyclobutyl-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(furan-2-yl)propan-1-one
PubChem CID105133720
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-cyclobutyl-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)C1CCC1
InChIInChI=1S/C11H14O2/c12-11(9-3-1-4-9)7-6-10-5-2-8-13-10/h2,5,8-9H,1,3-4,6-7H2
InChIKeyQJYREJXODVQLNT-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

N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
N-[2-(furan-2-yl)ethyl]-N-methylcyclobutanecarboxamide
CID 110733326
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
1-(furan-2-yl)hept-6-yn-3-one
CID 105100759
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-(3-aminopropyl)-N-cyclopentyl-3-(furan-2-yl)propanamide
CID 43319326
1-[2-(bromomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80659467
3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64928523
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-cyclobutyl-3-(furan-2-yl)propan-1-one (CID 105133720) is 1-cyclobutyl-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-cyclobutyl-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(furan-2-yl)propan-1-one?
The InChIKey is QJYREJXODVQLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11(9-3-1-4-9)7-6-10-5-2-8-13-10/h2,5,8-9H,1,3-4,6-7H2.
What are the key properties of 1-cyclobutyl-3-(furan-2-yl)propan-1-one?
1-cyclobutyl-3-(furan-2-yl)propan-1-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-2-yl)propan-1-one is sourced from PubChem (CID 105133720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).