1-(5-methyl-2H-furan-5-yl)ethanone

C7H10O2 — CID 162640210

IUPAC1-(5-methyl-2H-furan-5-yl)ethanone
SMILESCC(=O)C1(C)C=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)7(2)4-3-5-9-7/h3-4H,5H2,1-2H3
InChIKeyZXAHZFYBZWRKRD-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About 1-(5-methyl-2H-furan-5-yl)ethanone

1-(5-methyl-2H-furan-5-yl)ethanone (PubChem CID 162640210) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(5-methyl-2H-furan-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2H-furan-5-yl)ethanone
PubChem CID162640210
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(5-methyl-2H-furan-5-yl)ethanone
SMILESCC(=O)C1(C)C=CCO1
InChIInChI=1S/C7H10O2/c1-6(8)7(2)4-3-5-9-7/h3-4H,5H2,1-2H3
InChIKeyZXAHZFYBZWRKRD-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 155943340
1-[(E)-hex-2-enoxy]butan-2-one
CID 15256146
2-Methoxycyclopent-3-en-1-one
CID 22676885
6,6-dimethyl-2H-pyran-5-one
CID 57044362
(E)-3-methoxyhex-4-en-2-one
CID 87291868
1-Hex-2-enoxypropan-2-one
CID 90766135
3-Methoxyhex-4-en-2-one
CID 91023439
1-(5-Methylhex-2-enoxy)propan-2-one
CID 91505275
5-methyl-2H-furan-5-carbaldehyde
CID 118665446
2-Methyl-2-octa-2,6-dienoxypropanal
CID 141039739
5,5-dimethyl-2H-furan-2-carbaldehyde
CID 153959560
4,5-dimethyl-2H-furan-5-carbaldehyde
CID 174471319

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2H-furan-5-yl)ethanone?
The IUPAC name of 1-(5-methyl-2H-furan-5-yl)ethanone (CID 162640210) is 1-(5-methyl-2H-furan-5-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2H-furan-5-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2H-furan-5-yl)ethanone is CC(=O)C1(C)C=CCO1.
What is the InChIKey of 1-(5-methyl-2H-furan-5-yl)ethanone?
The InChIKey is ZXAHZFYBZWRKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(8)7(2)4-3-5-9-7/h3-4H,5H2,1-2H3.
What are the key properties of 1-(5-methyl-2H-furan-5-yl)ethanone?
1-(5-methyl-2H-furan-5-yl)ethanone has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2H-furan-5-yl)ethanone is sourced from PubChem (CID 162640210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).