(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine

C11H15NO3 — CID 24721588

IUPAC(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
SMILESCOc1ccc(C/C(C)=N/O)c(OC)c1
InChIInChI=1S/C11H15NO3/c1-8(12-13)6-9-4-5-10(14-2)7-11(9)15-3/h4-5,7,13H,6H2,1-3H3/b12-8+
InChIKeyDVQRUOGRERKCTC-XYOKQWHBSA-N
MW209.24 g/mol
LogP2.10
Rot. Bonds4

About (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 24721588) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
PubChem CID24721588
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
SMILESCOc1ccc(C/C(C)=N/O)c(OC)c1
InChIInChI=1S/C11H15NO3/c1-8(12-13)6-9-4-5-10(14-2)7-11(9)15-3/h4-5,7,13H,6H2,1-3H3/b12-8+
InChIKeyDVQRUOGRERKCTC-XYOKQWHBSA-N
XLogP2.10
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.10
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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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 562770
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
CID 69443369
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
methyl 2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate
CID 6712670
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
4-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
CID 91244154

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine (CID 24721588) is (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine is COc1ccc(C/C(C)=N/O)c(OC)c1.
What is the InChIKey of (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is DVQRUOGRERKCTC-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(12-13)6-9-4-5-10(14-2)7-11(9)15-3/h4-5,7,13H,6H2,1-3H3/b12-8+.
What are the key properties of (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 209.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 24721588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).