3-ethyl-1-(furan-2-yl)pentan-2-one

C11H16O2 — CID 115795583

IUPAC3-ethyl-1-(furan-2-yl)pentan-2-one
SMILESCCC(CC)C(=O)Cc1ccco1
InChIInChI=1S/C11H16O2/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyPROIDQMJSNQZGX-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.83
Rot. Bonds5

About 3-ethyl-1-(furan-2-yl)pentan-2-one

3-ethyl-1-(furan-2-yl)pentan-2-one (PubChem CID 115795583) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethyl-1-(furan-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-1-(furan-2-yl)pentan-2-one
PubChem CID115795583
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-ethyl-1-(furan-2-yl)pentan-2-one
SMILESCCC(CC)C(=O)Cc1ccco1
InChIInChI=1S/C11H16O2/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h5-7,9H,3-4,8H2,1-2H3
InChIKeyPROIDQMJSNQZGX-UHFFFAOYSA-N
XLogP2.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
3-ethoxy-1-(furan-2-yl)butan-2-one
CID 83171550
1-(furan-2-yl)-3-methylsulfonylbutan-2-one
CID 115795563
3-(furan-2-yl)-1,1-diphenylpropan-2-one
CID 83171492
2-(furan-2-yl)-N,N-dipropylacetamide
CID 110690666
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
CID 116556195
2-methylpropyl 2-(furan-2-yl)acetate
CID 156705031
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(furan-2-yl)pentan-2-one?
The IUPAC name of 3-ethyl-1-(furan-2-yl)pentan-2-one (CID 115795583) is 3-ethyl-1-(furan-2-yl)pentan-2-one.
What is the SMILES notation for 3-ethyl-1-(furan-2-yl)pentan-2-one?
The canonical SMILES for 3-ethyl-1-(furan-2-yl)pentan-2-one is CCC(CC)C(=O)Cc1ccco1.
What is the InChIKey of 3-ethyl-1-(furan-2-yl)pentan-2-one?
The InChIKey is PROIDQMJSNQZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-9(4-2)11(12)8-10-6-5-7-13-10/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 3-ethyl-1-(furan-2-yl)pentan-2-one?
3-ethyl-1-(furan-2-yl)pentan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(furan-2-yl)pentan-2-one is sourced from PubChem (CID 115795583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).