1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine

C10H12ClN3O — CID 86757955

IUPAC1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine
SMILESCON=C(C(C)=NN)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN3O/c1-7(13-12)10(14-15-2)8-3-5-9(11)6-4-8/h3-6H,12H2,1-2H3
InChIKeyXWPKSNDGQQTKMT-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine

1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine (PubChem CID 86757955) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine
PubChem CID86757955
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine
SMILESCON=C(C(C)=NN)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClN3O/c1-7(13-12)10(14-15-2)8-3-5-9(11)6-4-8/h3-6H,12H2,1-2H3
InChIKeyXWPKSNDGQQTKMT-UHFFFAOYSA-N
XLogP2.03
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868
(E,2E)-2-hydrazinylidene-N-methoxy-1-phenylpropan-1-imine
CID 59897267
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-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135538082
1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967575
1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
CID 72609352
1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967580
1-(4-bromophenyl)-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684356
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-propoxypropane-1,2-diimine
CID 20684351
2-(4-chlorophenyl)-2-hydrazinylidene-1-phenylethanone
CID 154386910
methyl 2-[2-[[[3-(4-chlorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 91027398

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine?
The IUPAC name of 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine (CID 86757955) is 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine?
The canonical SMILES for 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine is CON=C(C(C)=NN)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine?
The InChIKey is XWPKSNDGQQTKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-7(13-12)10(14-15-2)8-3-5-9(11)6-4-8/h3-6H,12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine?
1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine has a molecular weight of 225.68 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine is sourced from PubChem (CID 86757955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).