(5-nitrofuran-2-yl)methanamine

C5H6N2O3 — CID 13211642

IUPAC(5-nitrofuran-2-yl)methanamine
SMILESNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H6N2O3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3,6H2
InChIKeyIQVPHXCRBFPVQJ-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.65
Rot. Bonds2

About (5-nitrofuran-2-yl)methanamine

(5-nitrofuran-2-yl)methanamine (PubChem CID 13211642) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)methanamine
PubChem CID13211642
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name(5-nitrofuran-2-yl)methanamine
SMILESNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H6N2O3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3,6H2
InChIKeyIQVPHXCRBFPVQJ-UHFFFAOYSA-N
XLogP0.65
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.65
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

O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
trimethyl-[(5-nitrofuran-2-yl)methyl]azanium;hydrobromide
CID 126957165
2-[1-[(5-nitrofuran-2-yl)methyl]triazol-4-yl]ethanamine
CID 116641950
2-methyl-1-[(5-nitrofuran-2-yl)methylsulfanyl]propan-2-amine
CID 66221884
N-[(5-nitrofuran-2-yl)methyl]prop-2-en-1-amine
CID 43755376
[5-(2-nitrophenyl)furan-2-yl]methanamine
CID 82114007
ethyl 2-[ethyl-[(5-nitrofuran-2-yl)methyl]amino]acetate
CID 62027696
1-[(5-nitrofuran-2-yl)methyl]azetidin-3-ol
CID 63282386
2-(dipropoxyphosphorylmethyl)-5-nitrofuran
CID 71392787

Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)methanamine?
The IUPAC name of (5-nitrofuran-2-yl)methanamine (CID 13211642) is (5-nitrofuran-2-yl)methanamine.
What is the SMILES notation for (5-nitrofuran-2-yl)methanamine?
The canonical SMILES for (5-nitrofuran-2-yl)methanamine is NCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of (5-nitrofuran-2-yl)methanamine?
The InChIKey is IQVPHXCRBFPVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H,3,6H2.
What are the key properties of (5-nitrofuran-2-yl)methanamine?
(5-nitrofuran-2-yl)methanamine has a molecular weight of 142.11 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)methanamine is sourced from PubChem (CID 13211642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).