N-methyl-1-(5-nitrofuran-2-yl)methanamine

C6H8N2O3 — CID 43754874

IUPACN-methyl-1-(5-nitrofuran-2-yl)methanamine
SMILESCNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H8N2O3/c1-7-4-5-2-3-6(11-5)8(9)10/h2-3,7H,4H2,1H3
InChIKeyWPJBNWPRNSFKDW-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.91
Rot. Bonds3

About N-methyl-1-(5-nitrofuran-2-yl)methanamine

N-methyl-1-(5-nitrofuran-2-yl)methanamine (PubChem CID 43754874) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is N-methyl-1-(5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-nitrofuran-2-yl)methanamine
PubChem CID43754874
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC NameN-methyl-1-(5-nitrofuran-2-yl)methanamine
SMILESCNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H8N2O3/c1-7-4-5-2-3-6(11-5)8(9)10/h2-3,7H,4H2,1H3
InChIKeyWPJBNWPRNSFKDW-UHFFFAOYSA-N
XLogP0.91
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
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-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
(5-nitrofuran-2-yl)methanamine
CID 13211642
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
trimethyl-[(5-nitrofuran-2-yl)methyl]azanium;hydrobromide
CID 126957165
3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine
CID 115671696
4-ethyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43764272
N-[(5-nitrofuran-2-yl)methyl]prop-2-en-1-amine
CID 43755376
2-ethyl-2-[(5-nitrofuran-2-yl)methylamino]propane-1,3-diol
CID 103880632
4-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclohexan-1-amine
CID 43761490
1-(4-methylphenyl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 54863069
2-methyl-3-methylsulfanyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 63981267
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-nitrofuran-2-yl)methanamine (CID 43754874) is N-methyl-1-(5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-nitrofuran-2-yl)methanamine is CNCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-methyl-1-(5-nitrofuran-2-yl)methanamine?
The InChIKey is WPJBNWPRNSFKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-7-4-5-2-3-6(11-5)8(9)10/h2-3,7H,4H2,1H3.
What are the key properties of N-methyl-1-(5-nitrofuran-2-yl)methanamine?
N-methyl-1-(5-nitrofuran-2-yl)methanamine has a molecular weight of 156.14 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 43754874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).