ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate

C21H23N3O3 — CID 29147811

IUPACethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(/C=N\NCc2ccccc2OC)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-3-27-21(25)15-24-14-17(18-9-5-6-10-19(18)24)13-23-22-12-16-8-4-7-11-20(16)26-2/h4-11,13-14,22H,3,12,15H2,1-2H3/b23-13-
InChIKeyIPAKIGSYFSOPCL-QRVIBDJDSA-N
MW365.43 g/mol
LogP3.34
Rot. Bonds8

About ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate

ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate (PubChem CID 29147811) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate
PubChem CID29147811
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(/C=N\NCc2ccccc2OC)c2ccccc21
InChIInChI=1S/C21H23N3O3/c1-3-27-21(25)15-24-14-17(18-9-5-6-10-19(18)24)13-23-22-12-16-8-4-7-11-20(16)26-2/h4-11,13-14,22H,3,12,15H2,1-2H3/b23-13-
InChIKeyIPAKIGSYFSOPCL-QRVIBDJDSA-N
XLogP3.34
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate (CID 29147811) is ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate is CCOC(=O)Cn1cc(/C=N\NCc2ccccc2OC)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate?
The InChIKey is IPAKIGSYFSOPCL-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-27-21(25)15-24-14-17(18-9-5-6-10-19(18)24)13-23-22-12-16-8-4-7-11-20(16)26-2/h4-11,13-14,22H,3,12,15H2,1-2H3/b23-13-.
What are the key properties of ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate?
ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate has a molecular weight of 365.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]indol-1-yl]acetate is sourced from PubChem (CID 29147811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).