O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine

C7H11NO2 — CID 117104825

IUPACO-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine
SMILESCc1ccc(C(C)ON)o1
InChIInChI=1S/C7H11NO2/c1-5-3-4-7(9-5)6(2)10-8/h3-4,6H,8H2,1-2H3
InChIKeyFDXITMFHEOPXQL-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.54
Rot. Bonds2

About O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine

O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine (PubChem CID 117104825) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine
PubChem CID117104825
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameO-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine
SMILESCc1ccc(C(C)ON)o1
InChIInChI=1S/C7H11NO2/c1-5-3-4-7(9-5)6(2)10-8/h3-4,6H,8H2,1-2H3
InChIKeyFDXITMFHEOPXQL-UHFFFAOYSA-N
XLogP1.54
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305
2-(3,3-dimethylbutan-2-yl)-5-methylfuran
CID 77433390
propan-2-yl (2R)-2-hydroxy-2-(5-methylfuran-2-yl)acetate
CID 102354808
2-(5-methylfuran-2-yl)propanenitrile
CID 43316778
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
CID 2751428
(3R)-3-(5-methylfuran-2-yl)butanoic acid
CID 28791563
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
2-methyl-5-(1-phenylethyl)furan
CID 101473282

Frequently Asked Questions

What is the IUPAC name of O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine?
The IUPAC name of O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine (CID 117104825) is O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine is Cc1ccc(C(C)ON)o1.
What is the InChIKey of O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine?
The InChIKey is FDXITMFHEOPXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-4-7(9-5)6(2)10-8/h3-4,6H,8H2,1-2H3.
What are the key properties of O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine?
O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine has a molecular weight of 141.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117104825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).