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

C9H12O2 — CID 11263600

IUPAC3-methoxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(OC)CCC1=O
InChIInChI=1S/C9H12O2/c1-3-4-7-8(10)5-6-9(7)11-2/h3H,1,4-6H2,2H3
InChIKeyVCBUVOCGIAACAP-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds3

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

3-methoxy-2-prop-2-enylcyclopent-2-en-1-one (PubChem CID 11263600) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-methoxy-2-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-prop-2-enylcyclopent-2-en-1-one
PubChem CID11263600
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name3-methoxy-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(OC)CCC1=O
InChIInChI=1S/C9H12O2/c1-3-4-7-8(10)5-6-9(7)11-2/h3H,1,4-6H2,2H3
InChIKeyVCBUVOCGIAACAP-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.83
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-methoxy-2-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-2-prop-2-enylcyclopent-2-en-1-one (CID 11263600) is 3-methoxy-2-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-2-prop-2-enylcyclopent-2-en-1-one is C=CCC1=C(OC)CCC1=O.
What is the InChIKey of 3-methoxy-2-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is VCBUVOCGIAACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-4-7-8(10)5-6-9(7)11-2/h3H,1,4-6H2,2H3.
What are the key properties of 3-methoxy-2-prop-2-enylcyclopent-2-en-1-one?
3-methoxy-2-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 11263600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).