2-methyl-5-nitrofuran

C5H5NO3 — CID 13206

IUPAC2-methyl-5-nitrofuran
SMILESCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H5NO3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKeyVOBFYAXUVBEUGM-UHFFFAOYSA-N
MW127.10 g/mol
LogP1.50
Rot. Bonds1

About 2-methyl-5-nitrofuran

2-methyl-5-nitrofuran (PubChem CID 13206) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-methyl-5-nitrofuran.

Molecular Properties

Compound Name2-methyl-5-nitrofuran
PubChem CID13206
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name2-methyl-5-nitrofuran
SMILESCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H5NO3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKeyVOBFYAXUVBEUGM-UHFFFAOYSA-N
XLogP1.50
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nifuroxime
CID 5373493
5-Nitrofurfural
CID 12774
3-(5-Nitro-2-furyl)acrylic acid
CID 702695
5-Nitro-2-furaldoxime
CID 6478035
Methyl 5-nitro-2-furoate
CID 94882
5-Nitro-2-furaldehyde (5-nitrofurfurylene)hydrazone
CID 6897752
Guanofuracin
CID 9570078
2-Acetyl-5-nitrofuran
CID 21348
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
Nsc59984
CID 5356520
5-Nitrofurfuryl alcohol
CID 17230
Ethyl 5-nitro-2-furoate
CID 70341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitrofuran?
The IUPAC name of 2-methyl-5-nitrofuran (CID 13206) is 2-methyl-5-nitrofuran.
What is the SMILES notation for 2-methyl-5-nitrofuran?
The canonical SMILES for 2-methyl-5-nitrofuran is Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-methyl-5-nitrofuran?
The InChIKey is VOBFYAXUVBEUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3.
What are the key properties of 2-methyl-5-nitrofuran?
2-methyl-5-nitrofuran has a molecular weight of 127.10 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitrofuran is sourced from PubChem (CID 13206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).