[(Z)-1-(2-methylphenyl)ethylideneamino] acetate

C11H13NO2 — CID 118122967

IUPAC[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
SMILESCC(=O)O/N=C(/C)c1ccccc1C
InChIInChI=1S/C11H13NO2/c1-8-6-4-5-7-11(8)9(2)12-14-10(3)13/h4-7H,1-3H3/b12-9-
InChIKeyXWZWERXMYNZXEY-XFXZXTDPSA-N
MW191.23 g/mol
LogP2.28
Rot. Bonds2

About [(Z)-1-(2-methylphenyl)ethylideneamino] acetate

[(Z)-1-(2-methylphenyl)ethylideneamino] acetate (PubChem CID 118122967) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is [(Z)-1-(2-methylphenyl)ethylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
PubChem CID118122967
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
SMILESCC(=O)O/N=C(/C)c1ccccc1C
InChIInChI=1S/C11H13NO2/c1-8-6-4-5-7-11(8)9(2)12-14-10(3)13/h4-7H,1-3H3/b12-9-
InChIKeyXWZWERXMYNZXEY-XFXZXTDPSA-N
XLogP2.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[2-acetyloxyimino-3-(2-methylphenyl)-3-oxopropyl]-dimethylsulfanium
CID 151874310
[(E)-1-phenylethylideneamino] acetate
CID 5392489
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
ethane;1-(2-methylphenyl)ethanone
CID 91374073
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
CID 59148511
2-methylbenzamide;molecular hydrogen
CID 177161283
nitroso 2-methylbenzoate
CID 175187431
[(E)-[chloro-(2-chlorophenyl)methylidene]amino] acetate
CID 88744854
[(E)-1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate
CID 118371864
[[2-[4-[4-(2-methylbenzoyl)phenyl]sulfanylphenyl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
CID 174977486

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2-methylphenyl)ethylideneamino] acetate?
The IUPAC name of [(Z)-1-(2-methylphenyl)ethylideneamino] acetate (CID 118122967) is [(Z)-1-(2-methylphenyl)ethylideneamino] acetate.
What is the SMILES notation for [(Z)-1-(2-methylphenyl)ethylideneamino] acetate?
The canonical SMILES for [(Z)-1-(2-methylphenyl)ethylideneamino] acetate is CC(=O)O/N=C(/C)c1ccccc1C.
What is the InChIKey of [(Z)-1-(2-methylphenyl)ethylideneamino] acetate?
The InChIKey is XWZWERXMYNZXEY-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-6-4-5-7-11(8)9(2)12-14-10(3)13/h4-7H,1-3H3/b12-9-.
What are the key properties of [(Z)-1-(2-methylphenyl)ethylideneamino] acetate?
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate has a molecular weight of 191.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-methylphenyl)ethylideneamino] acetate is sourced from PubChem (CID 118122967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).