1-(2-methylfuran-3-yl)pent-3-yn-1-one

C10H10O2 — CID 104789229

IUPAC1-(2-methylfuran-3-yl)pent-3-yn-1-one
SMILESCC#CCC(=O)c1ccoc1C
InChIInChI=1S/C10H10O2/c1-3-4-5-10(11)9-6-7-12-8(9)2/h6-7H,5H2,1-2H3
InChIKeyGVBNBMNFHDWXSY-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.18
Rot. Bonds2

About 1-(2-methylfuran-3-yl)pent-3-yn-1-one

1-(2-methylfuran-3-yl)pent-3-yn-1-one (PubChem CID 104789229) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)pent-3-yn-1-one.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)pent-3-yn-1-one
PubChem CID104789229
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1-(2-methylfuran-3-yl)pent-3-yn-1-one
SMILESCC#CCC(=O)c1ccoc1C
InChIInChI=1S/C10H10O2/c1-3-4-5-10(11)9-6-7-12-8(9)2/h6-7H,5H2,1-2H3
InChIKeyGVBNBMNFHDWXSY-UHFFFAOYSA-N
XLogP2.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methylfuran-3-yl)pent-3-yn-1-one 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

2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
2-bromo-1-(2-methylfuran-3-yl)ethanone
CID 75360830
1-(2-methylfuran-3-yl)pent-4-yn-1-one
CID 104789266
1-(2-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
1-(2-methylfuran-3-yl)tridecan-1-one
CID 104789237
CID 140659686
CID 140659686
1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
CID 165037086
2-methyl-1-(2-methylfuran-3-yl)propan-1-one
CID 104789309
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
2-(2-methylfuran-3-carbonyl)propanedinitrile
CID 112732057
iodo 2-methylfuran-3-carboxylate
CID 126570406
N-iodo-2-methylfuran-3-carboxamide
CID 170236265

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)pent-3-yn-1-one?
The IUPAC name of 1-(2-methylfuran-3-yl)pent-3-yn-1-one (CID 104789229) is 1-(2-methylfuran-3-yl)pent-3-yn-1-one.
What is the SMILES notation for 1-(2-methylfuran-3-yl)pent-3-yn-1-one?
The canonical SMILES for 1-(2-methylfuran-3-yl)pent-3-yn-1-one is CC#CCC(=O)c1ccoc1C.
What is the InChIKey of 1-(2-methylfuran-3-yl)pent-3-yn-1-one?
The InChIKey is GVBNBMNFHDWXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-4-5-10(11)9-6-7-12-8(9)2/h6-7H,5H2,1-2H3.
What are the key properties of 1-(2-methylfuran-3-yl)pent-3-yn-1-one?
1-(2-methylfuran-3-yl)pent-3-yn-1-one has a molecular weight of 162.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)pent-3-yn-1-one is sourced from PubChem (CID 104789229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).