6-cyclopropyl-5-prop-2-enylpyran-2-one

C11H12O2 — CID 164684035

IUPAC6-cyclopropyl-5-prop-2-enylpyran-2-one
SMILESC=CCc1ccc(=O)oc1C1CC1
InChIInChI=1S/C11H12O2/c1-2-3-8-6-7-10(12)13-11(8)9-4-5-9/h2,6-7,9H,1,3-5H2
InChIKeyJWFDBSLJMCMKGS-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.25
Rot. Bonds3

About 6-cyclopropyl-5-prop-2-enylpyran-2-one

6-cyclopropyl-5-prop-2-enylpyran-2-one (PubChem CID 164684035) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-cyclopropyl-5-prop-2-enylpyran-2-one.

Molecular Properties

Compound Name6-cyclopropyl-5-prop-2-enylpyran-2-one
PubChem CID164684035
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name6-cyclopropyl-5-prop-2-enylpyran-2-one
SMILESC=CCc1ccc(=O)oc1C1CC1
InChIInChI=1S/C11H12O2/c1-2-3-8-6-7-10(12)13-11(8)9-4-5-9/h2,6-7,9H,1,3-5H2
InChIKeyJWFDBSLJMCMKGS-UHFFFAOYSA-N
XLogP2.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.25
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 6-cyclopropyl-5-prop-2-enylpyran-2-one?
The IUPAC name of 6-cyclopropyl-5-prop-2-enylpyran-2-one (CID 164684035) is 6-cyclopropyl-5-prop-2-enylpyran-2-one.
What is the SMILES notation for 6-cyclopropyl-5-prop-2-enylpyran-2-one?
The canonical SMILES for 6-cyclopropyl-5-prop-2-enylpyran-2-one is C=CCc1ccc(=O)oc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-prop-2-enylpyran-2-one?
The InChIKey is JWFDBSLJMCMKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-3-8-6-7-10(12)13-11(8)9-4-5-9/h2,6-7,9H,1,3-5H2.
What are the key properties of 6-cyclopropyl-5-prop-2-enylpyran-2-one?
6-cyclopropyl-5-prop-2-enylpyran-2-one has a molecular weight of 176.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-prop-2-enylpyran-2-one is sourced from PubChem (CID 164684035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).