2,4-dimethoxycyclopent-2-en-1-one

C7H10O3 — CID 10219484

IUPAC2,4-dimethoxycyclopent-2-en-1-one
SMILESCOC1=CC(OC)CC1=O
InChIInChI=1S/C7H10O3/c1-9-5-3-6(8)7(4-5)10-2/h4-5H,3H2,1-2H3
InChIKeyZEXKRIMNCKKTJP-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds2

About 2,4-dimethoxycyclopent-2-en-1-one

2,4-dimethoxycyclopent-2-en-1-one (PubChem CID 10219484) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2,4-dimethoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2,4-dimethoxycyclopent-2-en-1-one
PubChem CID10219484
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2,4-dimethoxycyclopent-2-en-1-one
SMILESCOC1=CC(OC)CC1=O
InChIInChI=1S/C7H10O3/c1-9-5-3-6(8)7(4-5)10-2/h4-5H,3H2,1-2H3
InChIKeyZEXKRIMNCKKTJP-UHFFFAOYSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxycyclopent-2-en-1-one?
The IUPAC name of 2,4-dimethoxycyclopent-2-en-1-one (CID 10219484) is 2,4-dimethoxycyclopent-2-en-1-one.
What is the SMILES notation for 2,4-dimethoxycyclopent-2-en-1-one?
The canonical SMILES for 2,4-dimethoxycyclopent-2-en-1-one is COC1=CC(OC)CC1=O.
What is the InChIKey of 2,4-dimethoxycyclopent-2-en-1-one?
The InChIKey is ZEXKRIMNCKKTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-5-3-6(8)7(4-5)10-2/h4-5H,3H2,1-2H3.
What are the key properties of 2,4-dimethoxycyclopent-2-en-1-one?
2,4-dimethoxycyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxycyclopent-2-en-1-one is sourced from PubChem (CID 10219484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).