[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate

C10H8N2O3 — CID 136661922

IUPAC[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
SMILESCC(=O)O/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C10H8N2O3/c1-6(13)15-12-9-7-4-2-3-5-8(7)11-10(9)14/h2-5H,1H3,(H,11,12,14)
InChIKeyDWHJCKIIYGHXMD-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.91
Rot. Bonds1

About [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate

[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate (PubChem CID 136661922) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate.

Molecular Properties

Compound Name[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
PubChem CID136661922
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
SMILESCC(=O)O/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C10H8N2O3/c1-6(13)15-12-9-7-4-2-3-5-8(7)11-10(9)14/h2-5H,1H3,(H,11,12,14)
InChIKeyDWHJCKIIYGHXMD-UHFFFAOYSA-N
XLogP0.91
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.91
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

[(2-oxo-1H-indol-3-ylidene)amino] 3-nitrobenzoate
CID 136691655
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-(2-ethoxy-3-hydroxypropoxy)imino-1H-indol-2-one
CID 137187025
1-methyl-1-[(2-oxo-1H-indol-3-ylidene)amino]thiourea
CID 136914456
2-[(2-oxo-1H-indol-3-ylidene)amino]butanoic acid
CID 137279422
3-(oxiran-2-ylmethoxyimino)-1H-indol-2-one
CID 137208388
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
(3Z)-3-[(2-oxo-1,2-diphenylethylidene)hydrazinylidene]-1H-indol-2-one
CID 135766320
3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
CID 135521199
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one
CID 136828463
1,3-dimethyl-1-[(E)-(2-oxo-1H-indol-3-ylidene)amino]thiourea
CID 136665063

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate?
The IUPAC name of [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate (CID 136661922) is [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate.
What is the SMILES notation for [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate?
The canonical SMILES for [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate is CC(=O)O/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate?
The InChIKey is DWHJCKIIYGHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-6(13)15-12-9-7-4-2-3-5-8(7)11-10(9)14/h2-5H,1H3,(H,11,12,14).
What are the key properties of [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate?
[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate has a molecular weight of 204.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate is sourced from PubChem (CID 136661922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).