N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine

C10H14N2O5 — CID 142657545

IUPACN-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine
SMILESCC(C)C(COCc1ccc([N+](=O)[O-])o1)=NO
InChIInChI=1S/C10H14N2O5/c1-7(2)9(11-13)6-16-5-8-3-4-10(17-8)12(14)15/h3-4,7,13H,5-6H2,1-2H3
InChIKeyBALDNYXNYKYTAF-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.19
Rot. Bonds6

About N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine

N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine (PubChem CID 142657545) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine
PubChem CID142657545
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC NameN-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine
SMILESCC(C)C(COCc1ccc([N+](=O)[O-])o1)=NO
InChIInChI=1S/C10H14N2O5/c1-7(2)9(11-13)6-16-5-8-3-4-10(17-8)12(14)15/h3-4,7,13H,5-6H2,1-2H3
InChIKeyBALDNYXNYKYTAF-UHFFFAOYSA-N
XLogP2.19
TPSA98.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-5-[[(5-nitrofuran-2-yl)methoxy-propan-2-ylphosphoryl]oxymethyl]furan
CID 129013384
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
tert-butyl N-[2-[[3-hydroxyimino-2-methyl-4-[(5-nitrofuran-2-yl)methoxy]butan-2-yl]amino]oxyethyl]carbamate
CID 73472651
N-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]propan-1-amine
CID 62338618
1-[methyl-[(5-nitrofuran-2-yl)methyl]amino]propan-2-ol
CID 62335414
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
2-nitro-5-[(2-nitro-4-propan-2-ylphenoxy)methyl]furan
CID 58463818
2-methyl-2-[2-[[2-methyl-4-[(5-nitrofuran-2-yl)methoxy]-3-oxobutan-2-yl]amino]oxyethylamino]pentan-3-one
CID 18929143
(5-nitrofuran-2-yl)methanamine
CID 13211642
2-(2-methylprop-2-enoxy)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 113258313
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine (CID 142657545) is N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine is CC(C)C(COCc1ccc([N+](=O)[O-])o1)=NO.
What is the InChIKey of N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine?
The InChIKey is BALDNYXNYKYTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-7(2)9(11-13)6-16-5-8-3-4-10(17-8)12(14)15/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine?
N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine has a molecular weight of 242.23 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[(5-nitrofuran-2-yl)methoxy]butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 142657545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).