(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine

C10H11ClN2O2 — CID 135597868

IUPAC(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
SMILESCO/N=C(C(\C)=N\O)/c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2/c1-7(12-14)10(13-15-2)8-3-5-9(11)6-4-8/h3-6,14H,1-2H3/b12-7+,13-10+
InChIKeyYXRHNIWPJOTSRP-IZENVRNYSA-N
MW226.66 g/mol
LogP2.54
Rot. Bonds3

About (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine

(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine (PubChem CID 135597868) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
PubChem CID135597868
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
SMILESCO/N=C(C(\C)=N\O)/c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2/c1-7(12-14)10(13-15-2)8-3-5-9(11)6-4-8/h3-6,14H,1-2H3/b12-7+,13-10+
InChIKeyYXRHNIWPJOTSRP-IZENVRNYSA-N
XLogP2.54
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine
CID 86757955
(NE)-N-[(1E)-1-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135538082
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684350
(NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135418300
1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967575
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
(E,2E)-2-hydrazinylidene-N-methoxy-1-phenylpropan-1-imine
CID 59897267
4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol
CID 135494041
(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine
CID 135574535
1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967580
1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
CID 72609352

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine (CID 135597868) is (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine is CO/N=C(C(\C)=N\O)/c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine?
The InChIKey is YXRHNIWPJOTSRP-IZENVRNYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-7(12-14)10(13-15-2)8-3-5-9(11)6-4-8/h3-6,14H,1-2H3/b12-7+,13-10+.
What are the key properties of (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine?
(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine has a molecular weight of 226.66 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135597868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).