N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine

C7H9N3O3 — CID 2732920

IUPACN-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
SMILESCN(C)N=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H9N3O3/c1-9(2)8-5-6-3-4-7(13-6)10(11)12/h3-5H,1-2H3
InChIKeyXYIYFWBUHGQCHD-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.08
Rot. Bonds3

About N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine

N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine (PubChem CID 2732920) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
PubChem CID2732920
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
SMILESCN(C)N=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H9N3O3/c1-9(2)8-5-6-3-4-7(13-6)10(11)12/h3-5H,1-2H3
InChIKeyXYIYFWBUHGQCHD-UHFFFAOYSA-N
XLogP1.08
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine (CID 2732920) is N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine is CN(C)N=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine?
The InChIKey is XYIYFWBUHGQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-9(2)8-5-6-3-4-7(13-6)10(11)12/h3-5H,1-2H3.
What are the key properties of N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine?
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine has a molecular weight of 183.17 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine is sourced from PubChem (CID 2732920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).