(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine

C12H15NO2 — CID 24706297

IUPAC(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
SMILESC=C(C)COc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C12H15NO2/c1-9(2)8-15-12-6-4-11(5-7-12)10(3)13-14/h4-7,14H,1,8H2,2-3H3/b13-10+
InChIKeyKCANDYRZEIOTCT-JLHYYAGUSA-N
MW205.26 g/mol
LogP2.84
Rot. Bonds4

About (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 24706297) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
PubChem CID24706297
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
SMILESC=C(C)COc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C12H15NO2/c1-9(2)8-15-12-6-4-11(5-7-12)10(3)13-14/h4-7,14H,1,8H2,2-3H3/b13-10+
InChIKeyKCANDYRZEIOTCT-JLHYYAGUSA-N
XLogP2.84
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24701395
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
CID 82926938
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine
CID 24704869
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
3-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341495
3-bromo-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82136357
2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341494
N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
CID 77073927
trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63677686

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine (CID 24706297) is (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine is C=C(C)COc1ccc(/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is KCANDYRZEIOTCT-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(2)8-15-12-6-4-11(5-7-12)10(3)13-14/h4-7,14H,1,8H2,2-3H3/b13-10+.
What are the key properties of (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 24706297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).