4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one

C14H20O2 — CID 123170386

IUPAC4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one
SMILESCCc1ccc(C(C)=C(C(C)=O)C(C)C)o1
InChIInChI=1S/C14H20O2/c1-6-12-7-8-13(16-12)10(4)14(9(2)3)11(5)15/h7-9H,6H2,1-5H3
InChIKeyJPJUKXCGJKJIGA-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.86
Rot. Bonds4

About 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one

4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one (PubChem CID 123170386) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one.

Molecular Properties

Compound Name4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one
PubChem CID123170386
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one
SMILESCCc1ccc(C(C)=C(C(C)=O)C(C)C)o1
InChIInChI=1S/C14H20O2/c1-6-12-7-8-13(16-12)10(4)14(9(2)3)11(5)15/h7-9H,6H2,1-5H3
InChIKeyJPJUKXCGJKJIGA-UHFFFAOYSA-N
XLogP3.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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
1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
CID 63498003
(2S)-2-amino-4-(5-ethylfuran-2-yl)-4-oxobutanoic acid
CID 131887294
1-(5-ethylfuran-2-yl)prop-2-yn-1-one
CID 114978456
2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile
CID 79094932
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one?
The IUPAC name of 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one (CID 123170386) is 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one.
What is the SMILES notation for 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one?
The canonical SMILES for 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one is CCc1ccc(C(C)=C(C(C)=O)C(C)C)o1.
What is the InChIKey of 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one?
The InChIKey is JPJUKXCGJKJIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-6-12-7-8-13(16-12)10(4)14(9(2)3)11(5)15/h7-9H,6H2,1-5H3.
What are the key properties of 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one?
4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylfuran-2-yl)-3-propan-2-ylpent-3-en-2-one is sourced from PubChem (CID 123170386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).