1-(5-ethylfuran-2-yl)prop-2-yn-1-one

C9H8O2 — CID 114978456

IUPAC1-(5-ethylfuran-2-yl)prop-2-yn-1-one
SMILESC#CC(=O)c1ccc(CC)o1
InChIInChI=1S/C9H8O2/c1-3-7-5-6-9(11-7)8(10)4-2/h2,5-6H,3H2,1H3
InChIKeyLSVKACWZBBGHCP-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.66
Rot. Bonds2

About 1-(5-ethylfuran-2-yl)prop-2-yn-1-one

1-(5-ethylfuran-2-yl)prop-2-yn-1-one (PubChem CID 114978456) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)prop-2-yn-1-one
PubChem CID114978456
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name1-(5-ethylfuran-2-yl)prop-2-yn-1-one
SMILESC#CC(=O)c1ccc(CC)o1
InChIInChI=1S/C9H8O2/c1-3-7-5-6-9(11-7)8(10)4-2/h2,5-6H,3H2,1H3
InChIKeyLSVKACWZBBGHCP-UHFFFAOYSA-N
XLogP1.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile
CID 79094932
(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 114973336
N-[1,2-bis(5-ethylfuran-2-yl)-2-hydroxyiminoethylidene]hydroxylamine
CID 154075799
(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
CID 107000752
1-(5-ethylfuran-2-yl)heptan-1-one
CID 114752170
2-cyclopropyl-1-(5-ethylfuran-2-yl)ethanone
CID 62346024
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
(2S)-2-cyano-3-(5-ethylfuran-2-yl)-N-methyl-3-oxopropanamide
CID 98450623

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)prop-2-yn-1-one?
The IUPAC name of 1-(5-ethylfuran-2-yl)prop-2-yn-1-one (CID 114978456) is 1-(5-ethylfuran-2-yl)prop-2-yn-1-one.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)prop-2-yn-1-one?
The canonical SMILES for 1-(5-ethylfuran-2-yl)prop-2-yn-1-one is C#CC(=O)c1ccc(CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)prop-2-yn-1-one?
The InChIKey is LSVKACWZBBGHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-3-7-5-6-9(11-7)8(10)4-2/h2,5-6H,3H2,1H3.
What are the key properties of 1-(5-ethylfuran-2-yl)prop-2-yn-1-one?
1-(5-ethylfuran-2-yl)prop-2-yn-1-one has a molecular weight of 148.16 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 1-(5-ethylfuran-2-yl)prop-2-yn-1-one is sourced from PubChem (CID 114978456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).