4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one

C10H14O2 — CID 130037748

IUPAC4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one
SMILESCOC1C=C(C=C(C)C)C(=O)C1
InChIInChI=1S/C10H14O2/c1-7(2)4-8-5-9(12-3)6-10(8)11/h4-5,9H,6H2,1-3H3
InChIKeyAHGQIKPDQIRUQB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds2

About 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one

4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one (PubChem CID 130037748) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one
PubChem CID130037748
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one
SMILESCOC1C=C(C=C(C)C)C(=O)C1
InChIInChI=1S/C10H14O2/c1-7(2)4-8-5-9(12-3)6-10(8)11/h4-5,9H,6H2,1-3H3
InChIKeyAHGQIKPDQIRUQB-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one?
The IUPAC name of 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one (CID 130037748) is 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one is COC1C=C(C=C(C)C)C(=O)C1.
What is the InChIKey of 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one?
The InChIKey is AHGQIKPDQIRUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)4-8-5-9(12-3)6-10(8)11/h4-5,9H,6H2,1-3H3.
What are the key properties of 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one?
4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one is sourced from PubChem (CID 130037748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).