N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine

C12H15NO3 — CID 76985192

IUPACN-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine
SMILESCC(C)COc1ccc2c(c1)OCC2=NO
InChIInChI=1S/C12H15NO3/c1-8(2)6-15-9-3-4-10-11(13-14)7-16-12(10)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyHYHZUSKASHROLA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.29
Rot. Bonds3

About N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine

N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine (PubChem CID 76985192) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine
PubChem CID76985192
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine
SMILESCC(C)COc1ccc2c(c1)OCC2=NO
InChIInChI=1S/C12H15NO3/c1-8(2)6-15-9-3-4-10-11(13-14)7-16-12(10)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyHYHZUSKASHROLA-UHFFFAOYSA-N
XLogP2.29
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The IUPAC name of N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine (CID 76985192) is N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine is CC(C)COc1ccc2c(c1)OCC2=NO.
What is the InChIKey of N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine?
The InChIKey is HYHZUSKASHROLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)6-15-9-3-4-10-11(13-14)7-16-12(10)5-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine?
N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine is sourced from PubChem (CID 76985192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).