3,4-dimethoxycyclopent-2-en-1-one

C7H10O3 — CID 14356155

IUPAC3,4-dimethoxycyclopent-2-en-1-one
SMILESCOC1=CC(=O)CC1OC
InChIInChI=1S/C7H10O3/c1-9-6-3-5(8)4-7(6)10-2/h3,7H,4H2,1-2H3
InChIKeyWIVFPFPMJNRXJR-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds2

About 3,4-dimethoxycyclopent-2-en-1-one

3,4-dimethoxycyclopent-2-en-1-one (PubChem CID 14356155) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3,4-dimethoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3,4-dimethoxycyclopent-2-en-1-one
PubChem CID14356155
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3,4-dimethoxycyclopent-2-en-1-one
SMILESCOC1=CC(=O)CC1OC
InChIInChI=1S/C7H10O3/c1-9-6-3-5(8)4-7(6)10-2/h3,7H,4H2,1-2H3
InChIKeyWIVFPFPMJNRXJR-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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Related Compounds

Annularin H
CID 11423970
(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one
CID 102055875
3-methoxy-2-(2-oxobutyl)-2H-uran-5-one
CID 101474327
4,5-Dimethoxycyclohex-3-ene-1,2-dione
CID 4395782
4-Hydroxy-3-methoxycyclopent-2-en-1-one
CID 13057910
3,4-Diethoxycyclopent-2-en-1-one
CID 154192221
3-[(Pent-1-en-3-yl)oxy]cyclopent-2-en-1-one
CID 12743798
(4S)-3,4-dimethoxycyclopent-2-en-1-one
CID 14356156
(5S)-4,5-dimethoxycyclohex-3-ene-1,2-dione
CID 92197748
(5R)-4,5-dimethoxycyclohex-3-ene-1,2-dione
CID 92197749

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxycyclopent-2-en-1-one?
The IUPAC name of 3,4-dimethoxycyclopent-2-en-1-one (CID 14356155) is 3,4-dimethoxycyclopent-2-en-1-one.
What is the SMILES notation for 3,4-dimethoxycyclopent-2-en-1-one?
The canonical SMILES for 3,4-dimethoxycyclopent-2-en-1-one is COC1=CC(=O)CC1OC.
What is the InChIKey of 3,4-dimethoxycyclopent-2-en-1-one?
The InChIKey is WIVFPFPMJNRXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-6-3-5(8)4-7(6)10-2/h3,7H,4H2,1-2H3.
What are the key properties of 3,4-dimethoxycyclopent-2-en-1-one?
3,4-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 3,4-dimethoxycyclopent-2-en-1-one is sourced from PubChem (CID 14356155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).