1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione

C14H13ClO3 — CID 10683077

IUPAC1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione
SMILESO=C(CC(=O)C1CCCC1=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClO3/c15-11-6-2-1-4-9(11)13(17)8-14(18)10-5-3-7-12(10)16/h1-2,4,6,10H,3,5,7-8H2
InChIKeyGTRXIJBYVSNOKZ-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione

1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione (PubChem CID 10683077) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione
PubChem CID10683077
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione
SMILESO=C(CC(=O)C1CCCC1=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClO3/c15-11-6-2-1-4-9(11)13(17)8-14(18)10-5-3-7-12(10)16/h1-2,4,6,10H,3,5,7-8H2
InChIKeyGTRXIJBYVSNOKZ-UHFFFAOYSA-N
XLogP2.85
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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3-(2-chlorophenyl)-3-oxopropanoyl chloride
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1-[2-(2-chlorophenyl)-2-oxoethyl]azepan-2-one
CID 62024083
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
2-chloro-N-[2-(2,6-dioxocyclohexyl)propan-2-yl]benzamide
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1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
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methyl 1-(2-chlorobenzoyl)-5-oxoazepane-4-carboxylate
CID 84579588

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione (CID 10683077) is 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione is O=C(CC(=O)C1CCCC1=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione?
The InChIKey is GTRXIJBYVSNOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c15-11-6-2-1-4-9(11)13(17)8-14(18)10-5-3-7-12(10)16/h1-2,4,6,10H,3,5,7-8H2.
What are the key properties of 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione?
1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione has a molecular weight of 264.71 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-oxocyclopentyl)propane-1,3-dione is sourced from PubChem (CID 10683077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).