1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone

C7H10O2 — CID 101032353

IUPAC1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone
SMILESCC(=O)C1C=COC1C
InChIInChI=1S/C7H10O2/c1-5(8)7-3-4-9-6(7)2/h3-4,6-7H,1-2H3
InChIKeyGQLRWMOKEQJFMG-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.12
Rot. Bonds1

About 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone

1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone (PubChem CID 101032353) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone
PubChem CID101032353
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone
SMILESCC(=O)C1C=COC1C
InChIInChI=1S/C7H10O2/c1-5(8)7-3-4-9-6(7)2/h3-4,6-7H,1-2H3
InChIKeyGQLRWMOKEQJFMG-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Formyl-6-methyl-4,5-dihydropyran
CID 22213848
3-Acetyl-Dihydropyran
CID 129647415
1-(2-methyl-3H-furan-2-yl)propan-2-one
CID 15820235
3-Ethyl-2,3-dihydropyran-4-one
CID 21559607
3-(Methoxymethyl)hex-5-en-2-one
CID 58838622
1-(2,3-dimethyl-2H-furan-3-yl)ethanone
CID 66616325
1-(2,3-Dihydrofuran-3-yl)ethanone
CID 70305160
2-Methyl-2,3-dihydrofuran-3-carbaldehyde
CID 117808312
2,3-Dimethyl-2,3-dihydropyran-4-one
CID 122633306
1-(2,3-Dihydrofuran-3-yl)-2-methylpropan-1-one
CID 141223605
(2S)-2,3-dimethyl-2,3-dihydropyran-4-one
CID 141794023
1-[(3R)-2,3-dihydrofuran-3-yl]ethanone
CID 141893678

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone (CID 101032353) is 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone is CC(=O)C1C=COC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone?
The InChIKey is GQLRWMOKEQJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5(8)7-3-4-9-6(7)2/h3-4,6-7H,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone?
1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone has a molecular weight of 126.15 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydrofuran-3-yl)ethanone is sourced from PubChem (CID 101032353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).