4-methoxycyclopent-2-en-1-one

C6H8O2 — CID 543069

IUPAC4-methoxycyclopent-2-en-1-one
SMILESCOC1C=CC(=O)C1
InChIInChI=1S/C6H8O2/c1-8-6-3-2-5(7)4-6/h2-3,6H,4H2,1H3
InChIKeyFXNNWSRLQNFYQI-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.53
Rot. Bonds1

About 4-methoxycyclopent-2-en-1-one

4-methoxycyclopent-2-en-1-one (PubChem CID 543069) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-methoxycyclopent-2-en-1-one
PubChem CID543069
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name4-methoxycyclopent-2-en-1-one
SMILESCOC1C=CC(=O)C1
InChIInChI=1S/C6H8O2/c1-8-6-3-2-5(7)4-6/h2-3,6H,4H2,1H3
InChIKeyFXNNWSRLQNFYQI-UHFFFAOYSA-N
XLogP0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclopent-2-en-1-one?
The IUPAC name of 4-methoxycyclopent-2-en-1-one (CID 543069) is 4-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 4-methoxycyclopent-2-en-1-one?
The canonical SMILES for 4-methoxycyclopent-2-en-1-one is COC1C=CC(=O)C1.
What is the InChIKey of 4-methoxycyclopent-2-en-1-one?
The InChIKey is FXNNWSRLQNFYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-8-6-3-2-5(7)4-6/h2-3,6H,4H2,1H3.
What are the key properties of 4-methoxycyclopent-2-en-1-one?
4-methoxycyclopent-2-en-1-one has a molecular weight of 112.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 543069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).