2,3-dimethoxycyclopent-2-en-1-one

C7H10O3 — CID 18551293

IUPAC2,3-dimethoxycyclopent-2-en-1-one
SMILESCOC1=C(OC)C(=O)CC1
InChIInChI=1S/C7H10O3/c1-9-6-4-3-5(8)7(6)10-2/h3-4H2,1-2H3
InChIKeyDGDADQVRKKLSRG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.85
Rot. Bonds2

About 2,3-dimethoxycyclopent-2-en-1-one

2,3-dimethoxycyclopent-2-en-1-one (PubChem CID 18551293) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2,3-dimethoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2,3-dimethoxycyclopent-2-en-1-one
PubChem CID18551293
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2,3-dimethoxycyclopent-2-en-1-one
SMILESCOC1=C(OC)C(=O)CC1
InChIInChI=1S/C7H10O3/c1-9-6-4-3-5(8)7(6)10-2/h3-4H2,1-2H3
InChIKeyDGDADQVRKKLSRG-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-2-cyclopentene-1-one
CID 11768535
4,5-Dimethoxy-4-cyclopentene-1,2,3-trione
CID 12243489
4,5-Dimethoxycyclopent-4-ene-1,3-dione
CID 10012131
2,3-Di(propan-2-yloxy)cyclopent-2-en-1-one
CID 90719873
4-Cyclopentene-1,2,3-trione, 4,5-diethoxy-
CID 533633
4,5-Diethoxy-4-cyclopentene-1,3-dione
CID 10954198
3-Hydroxy-2-methoxycyclopent-2-en-1-one
CID 119098126
(3-Oxo-2-propanoyloxycyclopenten-1-yl) propanoate
CID 17924328
2,3-Bis[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 91077890
(2-Acetyloxy-3-oxocyclopenten-1-yl) acetate
CID 141096138
2,3,5-Trimethoxycyclopent-2-en-1-one
CID 12651480
4-Methoxycyclopent-4-ene-1,3-dione
CID 12695576

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxycyclopent-2-en-1-one?
The IUPAC name of 2,3-dimethoxycyclopent-2-en-1-one (CID 18551293) is 2,3-dimethoxycyclopent-2-en-1-one.
What is the SMILES notation for 2,3-dimethoxycyclopent-2-en-1-one?
The canonical SMILES for 2,3-dimethoxycyclopent-2-en-1-one is COC1=C(OC)C(=O)CC1.
What is the InChIKey of 2,3-dimethoxycyclopent-2-en-1-one?
The InChIKey is DGDADQVRKKLSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-6-4-3-5(8)7(6)10-2/h3-4H2,1-2H3.
What are the key properties of 2,3-dimethoxycyclopent-2-en-1-one?
2,3-dimethoxycyclopent-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxycyclopent-2-en-1-one is sourced from PubChem (CID 18551293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).