2-(1-methoxyethyl)-5-nitrofuran

C7H9NO4 — CID 145237926

IUPAC2-(1-methoxyethyl)-5-nitrofuran
SMILESCOC(C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H9NO4/c1-5(11-2)6-3-4-7(12-6)8(9)10/h3-5H,1-2H3
InChIKeyCMJNMRFUUAJTKL-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.90
Rot. Bonds3

About 2-(1-methoxyethyl)-5-nitrofuran

2-(1-methoxyethyl)-5-nitrofuran (PubChem CID 145237926) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(1-methoxyethyl)-5-nitrofuran
PubChem CID145237926
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-(1-methoxyethyl)-5-nitrofuran
SMILESCOC(C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H9NO4/c1-5(11-2)6-3-4-7(12-6)8(9)10/h3-5H,1-2H3
InChIKeyCMJNMRFUUAJTKL-UHFFFAOYSA-N
XLogP1.90
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.90
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

1-[aziridin-1-yl-[1-(5-nitrofuran-2-yl)ethoxy]phosphoryl]aziridine
CID 135133471
2-[chloro-(4-propan-2-ylphenyl)methyl]-5-nitrofuran
CID 61084466
N-[(2-bromoethylamino)-[1-(5-nitrofuran-2-yl)ethoxy]phosphoryl]propan-1-amine
CID 58463582
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-nitrofuran
CID 61085084
(2,6-difluoro-4-methoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 61099625
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-5-nitrofuran
CID 61095986
2-[(4-butan-2-ylphenyl)-chloromethyl]-5-nitrofuran
CID 63430077
(2,4-dimethoxyphenyl)-(5-nitrofuran-2-yl)methanol
CID 61087514
2-[bromo-(2,4-dimethoxyphenyl)methyl]-5-nitrofuran
CID 61095917
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-5-nitrofuran
CID 61096882
(5-nitrofuran-2-yl)-phenylmethanamine
CID 43463910
2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-5-nitrofuran
CID 61084065

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-5-nitrofuran?
The IUPAC name of 2-(1-methoxyethyl)-5-nitrofuran (CID 145237926) is 2-(1-methoxyethyl)-5-nitrofuran.
What is the SMILES notation for 2-(1-methoxyethyl)-5-nitrofuran?
The canonical SMILES for 2-(1-methoxyethyl)-5-nitrofuran is COC(C)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(1-methoxyethyl)-5-nitrofuran?
The InChIKey is CMJNMRFUUAJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-5(11-2)6-3-4-7(12-6)8(9)10/h3-5H,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-5-nitrofuran?
2-(1-methoxyethyl)-5-nitrofuran has a molecular weight of 171.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-5-nitrofuran is sourced from PubChem (CID 145237926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).