5-prop-2-enyl-3-propylcyclopent-2-en-1-one

C11H16O — CID 10986593

IUPAC5-prop-2-enyl-3-propylcyclopent-2-en-1-one
SMILESC=CCC1CC(CCC)=CC1=O
InChIInChI=1S/C11H16O/c1-3-5-9-7-10(6-4-2)11(12)8-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeyIGIKGBYBMRNXLA-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds4

About 5-prop-2-enyl-3-propylcyclopent-2-en-1-one

5-prop-2-enyl-3-propylcyclopent-2-en-1-one (PubChem CID 10986593) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-prop-2-enyl-3-propylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-prop-2-enyl-3-propylcyclopent-2-en-1-one
PubChem CID10986593
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name5-prop-2-enyl-3-propylcyclopent-2-en-1-one
SMILESC=CCC1CC(CCC)=CC1=O
InChIInChI=1S/C11H16O/c1-3-5-9-7-10(6-4-2)11(12)8-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeyIGIKGBYBMRNXLA-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-prop-2-enyl-3-propylcyclopent-2-en-1-one?
The IUPAC name of 5-prop-2-enyl-3-propylcyclopent-2-en-1-one (CID 10986593) is 5-prop-2-enyl-3-propylcyclopent-2-en-1-one.
What is the SMILES notation for 5-prop-2-enyl-3-propylcyclopent-2-en-1-one?
The canonical SMILES for 5-prop-2-enyl-3-propylcyclopent-2-en-1-one is C=CCC1CC(CCC)=CC1=O.
What is the InChIKey of 5-prop-2-enyl-3-propylcyclopent-2-en-1-one?
The InChIKey is IGIKGBYBMRNXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-9-7-10(6-4-2)11(12)8-9/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of 5-prop-2-enyl-3-propylcyclopent-2-en-1-one?
5-prop-2-enyl-3-propylcyclopent-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-3-propylcyclopent-2-en-1-one is sourced from PubChem (CID 10986593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).