[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine

C21H23N3O3 — CID 73348273

IUPAC[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C=NN)cn2C
InChIInChI=1S/C21H23N3O3/c1-13(15-9-19(25-3)21(27-5)20(10-15)26-4)14-6-7-18-17(8-14)16(11-23-22)12-24(18)2/h6-12H,1,22H2,2-5H3
InChIKeyUSMZNJZTLDKPDK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.56
Rot. Bonds6

About [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine

[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine (PubChem CID 73348273) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine.

Molecular Properties

Compound Name[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine
PubChem CID73348273
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C=NN)cn2C
InChIInChI=1S/C21H23N3O3/c1-13(15-9-19(25-3)21(27-5)20(10-15)26-4)14-6-7-18-17(8-14)16(11-23-22)12-24(18)2/h6-12H,1,22H2,2-5H3
InChIKeyUSMZNJZTLDKPDK-UHFFFAOYSA-N
XLogP3.56
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine?
The IUPAC name of [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine (CID 73348273) is [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine.
What is the SMILES notation for [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine?
The canonical SMILES for [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c(C=NN)cn2C.
What is the InChIKey of [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine?
The InChIKey is USMZNJZTLDKPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13(15-9-19(25-3)21(27-5)20(10-15)26-4)14-6-7-18-17(8-14)16(11-23-22)12-24(18)2/h6-12H,1,22H2,2-5H3.
What are the key properties of [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine?
[1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine has a molecular weight of 365.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine is sourced from PubChem (CID 73348273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).