[(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate

C11H14N2O2 — CID 58684261

IUPAC[(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate
SMILESC/C(CN)=N\OC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2/c1-8-3-5-10(6-4-8)11(14)15-13-9(2)7-12/h3-6H,7,12H2,1-2H3/b13-9+
InChIKeyYFTWVGMHYZBNPG-UKTHLTGXSA-N
MW206.24 g/mol
LogP1.49
Rot. Bonds3

About [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate

[(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate (PubChem CID 58684261) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate.

Molecular Properties

Compound Name[(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate
PubChem CID58684261
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name[(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate
SMILESC/C(CN)=N\OC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2/c1-8-3-5-10(6-4-8)11(14)15-13-9(2)7-12/h3-6H,7,12H2,1-2H3/b13-9+
InChIKeyYFTWVGMHYZBNPG-UKTHLTGXSA-N
XLogP1.49
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-methylbenzoate
CID 5344837
[(3-bromo-1-ethoxy-1-oxopropan-2-ylidene)amino] 4-methylbenzoate
CID 54297668
[(Z)-[2-(4-acetamidophenyl)-1-aminoethylidene]amino] 4-methylbenzoate
CID 133221301
[[amino-(2-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 2876644
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
[(Z)-[1-chloro-2-(methylamino)-2-oxoethylidene]amino] 4-methylbenzoate
CID 117061705
[[1-amino-2-(3,4-dimethoxyphenyl)ethylidene]amino] 4-methylbenzoate
CID 4211421
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
methyl 4-methylbenzoate
CID 91113291

Frequently Asked Questions

What is the IUPAC name of [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate?
The IUPAC name of [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate (CID 58684261) is [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate.
What is the SMILES notation for [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate?
The canonical SMILES for [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate is C/C(CN)=N\OC(=O)c1ccc(C)cc1.
What is the InChIKey of [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate?
The InChIKey is YFTWVGMHYZBNPG-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-3-5-10(6-4-8)11(14)15-13-9(2)7-12/h3-6H,7,12H2,1-2H3/b13-9+.
What are the key properties of [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate?
[(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate has a molecular weight of 206.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate is sourced from PubChem (CID 58684261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).