2-(methoxymethyl)-5-nitrofuran

C6H7NO4 — CID 11469

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IUPAC2-(methoxymethyl)-5-nitrofuran
SMILESCOCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3
InChIKeyJXUMCVDPMJWGSI-UHFFFAOYSA-N
MW157.12 g/mol
LogP1.33
Rot. Bonds3

About 2-(methoxymethyl)-5-nitrofuran

2-(methoxymethyl)-5-nitrofuran (PubChem CID 11469) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(methoxymethyl)-5-nitrofuran
PubChem CID11469
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name2-(methoxymethyl)-5-nitrofuran
SMILESCOCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3
InChIKeyJXUMCVDPMJWGSI-UHFFFAOYSA-N
XLogP1.33
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-Nitrofurfural
CID 12774
3-(5-Nitro-2-furyl)acrylic acid
CID 702695
5-Nitro-2-furanmethanediol diacetate
CID 7097
5-Nitro-2-Furoic Acid
CID 12577
Methyl 5-nitro-2-furoate
CID 94882
2-Acetyl-5-nitrofuran
CID 21348
Ethyl 3-(5-nitro-2-furyl)acrylate
CID 899314
5-Nitrofurfuryl alcohol
CID 17230
Ethyl 5-nitro-2-furoate
CID 70341
5-Nitrofuryl-2-acrolein
CID 5462962
2-Nitro-5-((1E)-2-nitroethenyl)furan
CID 5355406
1-(5-Nitro-2-furyl)-1-pentanone
CID 228591

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-nitrofuran?
The IUPAC name of 2-(methoxymethyl)-5-nitrofuran (CID 11469) is 2-(methoxymethyl)-5-nitrofuran.
What is the SMILES notation for 2-(methoxymethyl)-5-nitrofuran?
The canonical SMILES for 2-(methoxymethyl)-5-nitrofuran is COCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(methoxymethyl)-5-nitrofuran?
The InChIKey is JXUMCVDPMJWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-nitrofuran?
2-(methoxymethyl)-5-nitrofuran has a molecular weight of 157.12 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-nitrofuran is sourced from PubChem (CID 11469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).