N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine

C11H11NO2 — CID 57355898

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
SMILESCCc1oc2ccccc2c1C=NO
InChIInChI=1S/C11H11NO2/c1-2-10-9(7-12-13)8-5-3-4-6-11(8)14-10/h3-7,13H,2H2,1H3
InChIKeyBUKQODPEAREPPX-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.80
Rot. Bonds2

About N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine

N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine (PubChem CID 57355898) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
PubChem CID57355898
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
SMILESCCc1oc2ccccc2c1C=NO
InChIInChI=1S/C11H11NO2/c1-2-10-9(7-12-13)8-5-3-4-6-11(8)14-10/h3-7,13H,2H2,1H3
InChIKeyBUKQODPEAREPPX-UHFFFAOYSA-N
XLogP2.80
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
CID 8825966
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione
CID 23376129
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
CID 8825899
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
CID 8825879
N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide
CID 8865346
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-nitroaniline
CID 8825958
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 8826359

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine (CID 57355898) is N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine is CCc1oc2ccccc2c1C=NO.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine?
The InChIKey is BUKQODPEAREPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-10-9(7-12-13)8-5-3-4-6-11(8)14-10/h3-7,13H,2H2,1H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine?
N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine has a molecular weight of 189.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 57355898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).