3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one

C10H14O2 — CID 131849692

IUPAC3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(OCC)CCC1=O
InChIInChI=1S/C10H14O2/c1-3-5-8-9(11)6-7-10(8)12-4-2/h3H,1,4-7H2,2H3
InChIKeyONGOUUIHUVHAGE-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds4

About 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one

3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one (PubChem CID 131849692) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one
PubChem CID131849692
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(OCC)CCC1=O
InChIInChI=1S/C10H14O2/c1-3-5-8-9(11)6-7-10(8)12-4-2/h3H,1,4-7H2,2H3
InChIKeyONGOUUIHUVHAGE-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
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-ethoxy-2-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one (CID 131849692) is 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one is C=CCC1=C(OCC)CCC1=O.
What is the InChIKey of 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is ONGOUUIHUVHAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-5-8-9(11)6-7-10(8)12-4-2/h3H,1,4-7H2,2H3.
What are the key properties of 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one?
3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 131849692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).