(E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine

C12H18N2O3 — CID 121012119

IUPAC(E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine
SMILESCOc1cc(C/C(C)=N/N)cc(OC)c1OC
InChIInChI=1S/C12H18N2O3/c1-8(14-13)5-9-6-10(15-2)12(17-4)11(7-9)16-3/h6-7H,5,13H2,1-4H3/b14-8+
InChIKeyNPKMEOYSWIHYAP-RIYZIHGNSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds5

About (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine

(E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine (PubChem CID 121012119) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine.

Molecular Properties

Compound Name(E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine
PubChem CID121012119
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine
SMILESCOc1cc(C/C(C)=N/N)cc(OC)c1OC
InChIInChI=1S/C12H18N2O3/c1-8(14-13)5-9-6-10(15-2)12(17-4)11(7-9)16-3/h6-7H,5,13H2,1-4H3/b14-8+
InChIKeyNPKMEOYSWIHYAP-RIYZIHGNSA-N
XLogP1.59
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-ethoxy-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168994
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
CID 146002715
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
2-[(3,4,5-trimethoxyphenyl)methoxy]propan-1-amine
CID 82353500

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine?
The IUPAC name of (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine (CID 121012119) is (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine.
What is the SMILES notation for (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine?
The canonical SMILES for (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine is COc1cc(C/C(C)=N/N)cc(OC)c1OC.
What is the InChIKey of (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine?
The InChIKey is NPKMEOYSWIHYAP-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(14-13)5-9-6-10(15-2)12(17-4)11(7-9)16-3/h6-7H,5,13H2,1-4H3/b14-8+.
What are the key properties of (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine?
(E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine has a molecular weight of 238.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4,5-trimethoxyphenyl)propan-2-ylidenehydrazine is sourced from PubChem (CID 121012119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).