1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone

C11H11ClO2 — CID 130917911

IUPAC1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone
SMILESO=C(CC1=CCCC1)c1ccoc1Cl
InChIInChI=1S/C11H11ClO2/c12-11-9(5-6-14-11)10(13)7-8-3-1-2-4-8/h3,5-6H,1-2,4,7H2
InChIKeyCLHKSTAMNAAPCP-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.62
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone

1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone (PubChem CID 130917911) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone
PubChem CID130917911
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone
SMILESO=C(CC1=CCCC1)c1ccoc1Cl
InChIInChI=1S/C11H11ClO2/c12-11-9(5-6-14-11)10(13)7-8-3-1-2-4-8/h3,5-6H,1-2,4,7H2
InChIKeyCLHKSTAMNAAPCP-UHFFFAOYSA-N
XLogP3.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(4-iodophenyl)ethanone
CID 106691035
1-(2-chlorofuran-3-yl)-2-(4-chlorophenyl)ethanone
CID 106687672
2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
1-(2-chlorofuran-3-yl)-2-(furan-3-yl)ethanone
CID 106691241
1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106687670
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanone
CID 106687680
2-(cyclopenten-1-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 130987790
1-(2-chlorofuran-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 106687696
2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
CID 116659694
1-(2-chlorofuran-3-yl)-2-(4-methoxyphenyl)ethanone
CID 106687666
1-(2-chlorofuran-3-yl)-3-cyclopropylpropan-1-one
CID 106691083

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone (CID 130917911) is 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone is O=C(CC1=CCCC1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone?
The InChIKey is CLHKSTAMNAAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-11-9(5-6-14-11)10(13)7-8-3-1-2-4-8/h3,5-6H,1-2,4,7H2.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone?
1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone has a molecular weight of 210.66 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 130917911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).