ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate

C15H19N3O2 — CID 8812591

IUPACethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/NN(CC)c1ccc(C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-18(14-8-6-12(3)7-9-14)17-11-13(10-16)15(19)20-5-2/h6-9,11,17H,4-5H2,1-3H3/b13-11+
InChIKeyTXTTWMSGEVKADF-ACCUITESSA-N
MW273.34 g/mol
LogP2.30
Rot. Bonds6

About ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate

ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate (PubChem CID 8812591) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate
PubChem CID8812591
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate
SMILESCCOC(=O)/C(C#N)=C/NN(CC)c1ccc(C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-18(14-8-6-12(3)7-9-14)17-11-13(10-16)15(19)20-5-2/h6-9,11,17H,4-5H2,1-3H3/b13-11+
InChIKeyTXTTWMSGEVKADF-ACCUITESSA-N
XLogP2.30
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-cyano-3-[(4-methylbenzoyl)amino]prop-2-enoate
CID 35580175
ethyl (Z)-2-cyano-3-[(5-methyl-2-pyridinyl)amino]prop-2-enoate
CID 6123042
ethyl (E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
CID 728728
ethyl 2-cyano-3-(2,6-dimethylanilino)prop-2-enoate
CID 70458010
ethyl (E)-3-(4-aminoanilino)-2-cyanoprop-2-enoate
CID 13010812
ethyl (Z)-2-cyano-3-(4-ethoxyanilino)prop-2-enoate
CID 23722954
ethyl (E)-2-cyano-3-[3-(dimethylcarbamoyl)anilino]prop-2-enoate
CID 17231934
ethyl (E)-2-cyano-3-(3,4-diethoxyanilino)prop-2-enoate
CID 10733296
ethyl (E)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]prop-2-enoate
CID 8811343
ethyl 2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
CID 4155297
ethyl (E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoate
CID 767569
ethyl (E)-2-cyano-3-(3,5-dichloroanilino)prop-2-enoate
CID 8811229

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate?
The IUPAC name of ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate (CID 8812591) is ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate is CCOC(=O)/C(C#N)=C/NN(CC)c1ccc(C)cc1.
What is the InChIKey of ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate?
The InChIKey is TXTTWMSGEVKADF-ACCUITESSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-18(14-8-6-12(3)7-9-14)17-11-13(10-16)15(19)20-5-2/h6-9,11,17H,4-5H2,1-3H3/b13-11+.
What are the key properties of ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate?
ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate has a molecular weight of 273.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]prop-2-enoate is sourced from PubChem (CID 8812591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).