3-ethyl-2-methoxycyclopent-3-en-1-one

C8H12O2 — CID 70533164

IUPAC3-ethyl-2-methoxycyclopent-3-en-1-one
SMILESCCC1=CCC(=O)C1OC
InChIInChI=1S/C8H12O2/c1-3-6-4-5-7(9)8(6)10-2/h4,8H,3,5H2,1-2H3
InChIKeyLHTVUKDTFKALAM-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 3-ethyl-2-methoxycyclopent-3-en-1-one

3-ethyl-2-methoxycyclopent-3-en-1-one (PubChem CID 70533164) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethyl-2-methoxycyclopent-3-en-1-one.

Molecular Properties

Compound Name3-ethyl-2-methoxycyclopent-3-en-1-one
PubChem CID70533164
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-ethyl-2-methoxycyclopent-3-en-1-one
SMILESCCC1=CCC(=O)C1OC
InChIInChI=1S/C8H12O2/c1-3-6-4-5-7(9)8(6)10-2/h4,8H,3,5H2,1-2H3
InChIKeyLHTVUKDTFKALAM-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxycyclopent-3-en-1-one?
The IUPAC name of 3-ethyl-2-methoxycyclopent-3-en-1-one (CID 70533164) is 3-ethyl-2-methoxycyclopent-3-en-1-one.
What is the SMILES notation for 3-ethyl-2-methoxycyclopent-3-en-1-one?
The canonical SMILES for 3-ethyl-2-methoxycyclopent-3-en-1-one is CCC1=CCC(=O)C1OC.
What is the InChIKey of 3-ethyl-2-methoxycyclopent-3-en-1-one?
The InChIKey is LHTVUKDTFKALAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-6-4-5-7(9)8(6)10-2/h4,8H,3,5H2,1-2H3.
What are the key properties of 3-ethyl-2-methoxycyclopent-3-en-1-one?
3-ethyl-2-methoxycyclopent-3-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxycyclopent-3-en-1-one is sourced from PubChem (CID 70533164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).