2-methyl-1-(2-methylfuran-3-yl)propan-1-one

C9H12O2 — CID 104789309

IUPAC2-methyl-1-(2-methylfuran-3-yl)propan-1-one
SMILESCc1occc1C(=O)C(C)C
InChIInChI=1S/C9H12O2/c1-6(2)9(10)8-4-5-11-7(8)3/h4-6H,1-3H3
InChIKeyFRAYJKZGRLFYOE-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.43
Rot. Bonds2

About 2-methyl-1-(2-methylfuran-3-yl)propan-1-one

2-methyl-1-(2-methylfuran-3-yl)propan-1-one (PubChem CID 104789309) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-methyl-1-(2-methylfuran-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylfuran-3-yl)propan-1-one
PubChem CID104789309
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-methyl-1-(2-methylfuran-3-yl)propan-1-one
SMILESCc1occc1C(=O)C(C)C
InChIInChI=1S/C9H12O2/c1-6(2)9(10)8-4-5-11-7(8)3/h4-6H,1-3H3
InChIKeyFRAYJKZGRLFYOE-UHFFFAOYSA-N
XLogP2.43
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylfuran-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methylfuran-3-yl)propan-1-one (CID 104789309) is 2-methyl-1-(2-methylfuran-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylfuran-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylfuran-3-yl)propan-1-one is Cc1occc1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylfuran-3-yl)propan-1-one?
The InChIKey is FRAYJKZGRLFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6(2)9(10)8-4-5-11-7(8)3/h4-6H,1-3H3.
What are the key properties of 2-methyl-1-(2-methylfuran-3-yl)propan-1-one?
2-methyl-1-(2-methylfuran-3-yl)propan-1-one has a molecular weight of 152.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylfuran-3-yl)propan-1-one is sourced from PubChem (CID 104789309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).