1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone

C10H14O2 — CID 4562645

IUPAC1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone
SMILESCC(=O)c1oc(C)cc1C(C)C
InChIInChI=1S/C10H14O2/c1-6(2)9-5-7(3)12-10(9)8(4)11/h5-6H,1-4H3
InChIKeyWODXWJYXWVJPHF-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.91
Rot. Bonds2

About 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone

1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone (PubChem CID 4562645) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone
PubChem CID4562645
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone
SMILESCC(=O)c1oc(C)cc1C(C)C
InChIInChI=1S/C10H14O2/c1-6(2)9-5-7(3)12-10(9)8(4)11/h5-6H,1-4H3
InChIKeyWODXWJYXWVJPHF-UHFFFAOYSA-N
XLogP2.91
TPSA30.21 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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid
CID 21243563
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)ethanone
CID 65428215
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
1-(3-amino-5-methylfuran-2-yl)-2-(methylamino)propan-1-one
CID 82407779
(2R)-2-[(3,5-dimethylfuran-2-carbonyl)amino]propanoic acid
CID 103791172
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
2-(azetidin-3-ylidene)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propanamide
CID 116677534
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
CID 43739659
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone?
The IUPAC name of 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone (CID 4562645) is 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone?
The canonical SMILES for 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone is CC(=O)c1oc(C)cc1C(C)C.
What is the InChIKey of 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone?
The InChIKey is WODXWJYXWVJPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6(2)9-5-7(3)12-10(9)8(4)11/h5-6H,1-4H3.
What are the key properties of 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone?
1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-propan-2-ylfuran-2-yl)ethanone is sourced from PubChem (CID 4562645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).