ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate

C13H17ClN2O2 — CID 131869546

IUPACethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate
SMILESCCOC(=O)C(CC)=NNc1cccc(C)c1Cl
InChIInChI=1S/C13H17ClN2O2/c1-4-10(13(17)18-5-2)15-16-11-8-6-7-9(3)12(11)14/h6-8,16H,4-5H2,1-3H3
InChIKeyNGLOFQLMOLLEQO-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.39
Rot. Bonds5

About ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate

ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate (PubChem CID 131869546) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate
PubChem CID131869546
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Nameethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate
SMILESCCOC(=O)C(CC)=NNc1cccc(C)c1Cl
InChIInChI=1S/C13H17ClN2O2/c1-4-10(13(17)18-5-2)15-16-11-8-6-7-9(3)12(11)14/h6-8,16H,4-5H2,1-3H3
InChIKeyNGLOFQLMOLLEQO-UHFFFAOYSA-N
XLogP3.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 12858861
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate
CID 14964684
ethyl (2Z)-2-[(3-bromo-2-methylphenyl)hydrazinylidene]propanoate
CID 87613195
ethyl (2E)-2-[(2-chloro-5-formylphenyl)hydrazinylidene]pentanoate
CID 172931389
ethyl 2-phenyliminobutanoate
CID 158237119
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate
CID 12857760
ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 130194422
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
ethyl 2-(2,6-dimethylphenyl)-2-oxoacetate
CID 24722257
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
CID 177479961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate?
The IUPAC name of ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate (CID 131869546) is ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate.
What is the SMILES notation for ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate?
The canonical SMILES for ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate is CCOC(=O)C(CC)=NNc1cccc(C)c1Cl.
What is the InChIKey of ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate?
The InChIKey is NGLOFQLMOLLEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-10(13(17)18-5-2)15-16-11-8-6-7-9(3)12(11)14/h6-8,16H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate?
ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate has a molecular weight of 268.74 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-3-methylphenyl)hydrazinylidene]butanoate is sourced from PubChem (CID 131869546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).