ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate

C20H15N5O2 — CID 169341534

IUPACethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(NN=C(C#N)C#N)c2)cn2ccccc12
InChIInChI=1S/C20H15N5O2/c1-2-27-20(26)19-17(13-25-9-4-3-8-18(19)25)14-6-5-7-15(10-14)23-24-16(11-21)12-22/h3-10,13,23H,2H2,1H3
InChIKeyCVHWPJUDEQNJGR-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.60
Rot. Bonds5

About ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate

ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate (PubChem CID 169341534) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate
PubChem CID169341534
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Nameethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(NN=C(C#N)C#N)c2)cn2ccccc12
InChIInChI=1S/C20H15N5O2/c1-2-27-20(26)19-17(13-25-9-4-3-8-18(19)25)14-6-5-7-15(10-14)23-24-16(11-21)12-22/h3-10,13,23H,2H2,1H3
InChIKeyCVHWPJUDEQNJGR-UHFFFAOYSA-N
XLogP3.60
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', '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

ethyl 2-(4-bromophenyl)indolizine-1-carboxylate
CID 2763725
2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339424
methyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]acetate
CID 169337886
ethyl 2-(3-chlorophenyl)-3-cyanoindolizine-1-carboxylate
CID 72701127
methyl 2-(4-chlorophenyl)indolizine-1-carboxylate
CID 122364002
ethyl 2-[2-(dicyanomethylidene)hydrazinyl]-5-iodobenzoate
CID 169337413
2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340608
ethyl (2Z)-2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
CID 5359955
2-[[3-(3,4,5-trimethoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339325
ethyl 3-cyano-2-ethylindolizine-1-carboxylate
CID 86231080
2-(3-methyl-4-phenylmethoxyphenyl)indolizine-1-carboxylic acid
CID 4518070
ethyl 2-phenylindolizine-8-carboxylate
CID 15562881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate?
The IUPAC name of ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate (CID 169341534) is ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate?
The canonical SMILES for ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate is CCOC(=O)c1c(-c2cccc(NN=C(C#N)C#N)c2)cn2ccccc12.
What is the InChIKey of ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate?
The InChIKey is CVHWPJUDEQNJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-2-27-20(26)19-17(13-25-9-4-3-8-18(19)25)14-6-5-7-15(10-14)23-24-16(11-21)12-22/h3-10,13,23H,2H2,1H3.
What are the key properties of ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate?
ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate has a molecular weight of 357.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]indolizine-1-carboxylate is sourced from PubChem (CID 169341534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).