2-methylfuran

C5H6O — CID 10797

IUPAC2-methylfuran
SMILESCc1ccco1
InChIInChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKeyVQKFNUFAXTZWDK-UHFFFAOYSA-N
MW82.10 g/mol
LogP1.59
Rot. Bonds

About 2-methylfuran

2-methylfuran (PubChem CID 10797) has the molecular formula C5H6O and a molecular weight of 82.10 g/mol. Its IUPAC name is 2-methylfuran.

Molecular Properties

Compound Name2-methylfuran
PubChem CID10797
Molecular FormulaC5H6O
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Name2-methylfuran
SMILESCc1ccco1
InChIInChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKeyVQKFNUFAXTZWDK-UHFFFAOYSA-N
XLogP1.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Furfural
CID 7362
Furfuryl Alcohol
CID 7361
2,5-Dimethylfuran
CID 12266
2-Pentylfuran
CID 19602
Methyl 2-methyl-3-furyl disulfide
CID 47649
Methyl 2-furoate
CID 11902
5-Methylfurfural
CID 12097
2-Furanmethanethiol
CID 7363
Furfural acetate
CID 12170
2-Acetylfuran
CID 14505
2-Ethylfuran
CID 18554
2-Methyl-3-furanthiol
CID 34286

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran?
The IUPAC name of 2-methylfuran (CID 10797) is 2-methylfuran.
What is the SMILES notation for 2-methylfuran?
The canonical SMILES for 2-methylfuran is Cc1ccco1.
What is the InChIKey of 2-methylfuran?
The InChIKey is VQKFNUFAXTZWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3.
What are the key properties of 2-methylfuran?
2-methylfuran has a molecular weight of 82.10 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran is sourced from PubChem (CID 10797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).