methyl 3-(5-oxocyclopenten-1-yl)propanoate

C9H12O3 — CID 11073810

IUPACmethyl 3-(5-oxocyclopenten-1-yl)propanoate
SMILESCOC(=O)CCC1=CCCC1=O
InChIInChI=1S/C9H12O3/c1-12-9(11)6-5-7-3-2-4-8(7)10/h3H,2,4-6H2,1H3
InChIKeyDMXIKMKVKNFYNI-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.23
Rot. Bonds3

About methyl 3-(5-oxocyclopenten-1-yl)propanoate

methyl 3-(5-oxocyclopenten-1-yl)propanoate (PubChem CID 11073810) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is methyl 3-(5-oxocyclopenten-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-oxocyclopenten-1-yl)propanoate
PubChem CID11073810
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Namemethyl 3-(5-oxocyclopenten-1-yl)propanoate
SMILESCOC(=O)CCC1=CCCC1=O
InChIInChI=1S/C9H12O3/c1-12-9(11)6-5-7-3-2-4-8(7)10/h3H,2,4-6H2,1H3
InChIKeyDMXIKMKVKNFYNI-UHFFFAOYSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-oxocyclopenten-1-yl)propanoate?
The IUPAC name of methyl 3-(5-oxocyclopenten-1-yl)propanoate (CID 11073810) is methyl 3-(5-oxocyclopenten-1-yl)propanoate.
What is the SMILES notation for methyl 3-(5-oxocyclopenten-1-yl)propanoate?
The canonical SMILES for methyl 3-(5-oxocyclopenten-1-yl)propanoate is COC(=O)CCC1=CCCC1=O.
What is the InChIKey of methyl 3-(5-oxocyclopenten-1-yl)propanoate?
The InChIKey is DMXIKMKVKNFYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-12-9(11)6-5-7-3-2-4-8(7)10/h3H,2,4-6H2,1H3.
What are the key properties of methyl 3-(5-oxocyclopenten-1-yl)propanoate?
methyl 3-(5-oxocyclopenten-1-yl)propanoate has a molecular weight of 168.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-oxocyclopenten-1-yl)propanoate is sourced from PubChem (CID 11073810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).