N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine

C11H15NO2 — CID 57363374

IUPACN-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
SMILESCOc1ccc(CCC(C)=NO)cc1
InChIInChI=1S/C11H15NO2/c1-9(12-13)3-4-10-5-7-11(14-2)8-6-10/h5-8,13H,3-4H2,1-2H3
InChIKeyGBYOVSQIHCOUBT-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.48
Rot. Bonds4

About N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine

N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine (PubChem CID 57363374) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
PubChem CID57363374
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
SMILESCOc1ccc(CCC(C)=NO)cc1
InChIInChI=1S/C11H15NO2/c1-9(12-13)3-4-10-5-7-11(14-2)8-6-10/h5-8,13H,3-4H2,1-2H3
InChIKeyGBYOVSQIHCOUBT-UHFFFAOYSA-N
XLogP2.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine (CID 57363374) is N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine is COc1ccc(CCC(C)=NO)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine?
The InChIKey is GBYOVSQIHCOUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(12-13)3-4-10-5-7-11(14-2)8-6-10/h5-8,13H,3-4H2,1-2H3.
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine?
N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 57363374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).