1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one

C11H14O3 — CID 91015823

IUPAC1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one
SMILESC=CC(=O)C1=C(C)CC(C(=O)CC)O1
InChIInChI=1S/C11H14O3/c1-4-8(12)10-6-7(3)11(14-10)9(13)5-2/h5,10H,2,4,6H2,1,3H3
InChIKeyFRLOJLOAFJOORY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.78
Rot. Bonds4

About 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one

1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one (PubChem CID 91015823) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one
PubChem CID91015823
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one
SMILESC=CC(=O)C1=C(C)CC(C(=O)CC)O1
InChIInChI=1S/C11H14O3/c1-4-8(12)10-6-7(3)11(14-10)9(13)5-2/h5,10H,2,4,6H2,1,3H3
InChIKeyFRLOJLOAFJOORY-UHFFFAOYSA-N
XLogP1.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one?
The IUPAC name of 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one (CID 91015823) is 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one is C=CC(=O)C1=C(C)CC(C(=O)CC)O1.
What is the InChIKey of 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one?
The InChIKey is FRLOJLOAFJOORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-8(12)10-6-7(3)11(14-10)9(13)5-2/h5,10H,2,4,6H2,1,3H3.
What are the key properties of 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one?
1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one is sourced from PubChem (CID 91015823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).