3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine

C10H14N2O4 — CID 43771218

IUPAC3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
SMILESC=COCCCNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H14N2O4/c1-2-15-7-3-6-11-8-9-4-5-10(16-9)12(13)14/h2,4-5,11H,1,3,6-8H2
InChIKeyWQBIHSNTJBTRFB-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.83
Rot. Bonds8

About 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine

3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine (PubChem CID 43771218) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
PubChem CID43771218
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
SMILESC=COCCCNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H14N2O4/c1-2-15-7-3-6-11-8-9-4-5-10(16-9)12(13)14/h2,4-5,11H,1,3,6-8H2
InChIKeyWQBIHSNTJBTRFB-UHFFFAOYSA-N
XLogP1.83
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268
N-[(5-nitrofuran-2-yl)methyl]prop-2-en-1-amine
CID 43755376
3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 43771289
2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 113258313
N-[(4-bromo-3-nitrophenyl)methyl]-3-ethenoxypropan-1-amine
CID 43223136
3-(4-methylpiperazin-1-yl)-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43768210
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
3-(5-methyl-1H-pyrazol-4-yl)-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 62040035
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
4-methoxy-2-[(5-nitrofuran-2-yl)methylamino]butan-1-ol
CID 114210444

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine (CID 43771218) is 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine is C=COCCCNCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine?
The InChIKey is WQBIHSNTJBTRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-15-7-3-6-11-8-9-4-5-10(16-9)12(13)14/h2,4-5,11H,1,3,6-8H2.
What are the key properties of 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine?
3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine has a molecular weight of 226.23 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43771218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).