N,N-dimethyl-5-nitrofuran-2-amine

C6H8N2O3 — CID 13109603

IUPACN,N-dimethyl-5-nitrofuran-2-amine
SMILESCN(C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H8N2O3/c1-7(2)5-3-4-6(11-5)8(9)10/h3-4H,1-2H3
InChIKeyOEXNYXGIDINFAR-UHFFFAOYSA-N
MW156.14 g/mol
LogP1.25
Rot. Bonds2

About N,N-dimethyl-5-nitrofuran-2-amine

N,N-dimethyl-5-nitrofuran-2-amine (PubChem CID 13109603) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is N,N-dimethyl-5-nitrofuran-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-nitrofuran-2-amine
PubChem CID13109603
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC NameN,N-dimethyl-5-nitrofuran-2-amine
SMILESCN(C)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H8N2O3/c1-7(2)5-3-4-6(11-5)8(9)10/h3-4H,1-2H3
InChIKeyOEXNYXGIDINFAR-UHFFFAOYSA-N
XLogP1.25
TPSA59.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-nitrofuran-2-amine?
The IUPAC name of N,N-dimethyl-5-nitrofuran-2-amine (CID 13109603) is N,N-dimethyl-5-nitrofuran-2-amine.
What is the SMILES notation for N,N-dimethyl-5-nitrofuran-2-amine?
The canonical SMILES for N,N-dimethyl-5-nitrofuran-2-amine is CN(C)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N,N-dimethyl-5-nitrofuran-2-amine?
The InChIKey is OEXNYXGIDINFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-7(2)5-3-4-6(11-5)8(9)10/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-5-nitrofuran-2-amine?
N,N-dimethyl-5-nitrofuran-2-amine has a molecular weight of 156.14 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-nitrofuran-2-amine is sourced from PubChem (CID 13109603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).