3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione

C11H8N4O3 — CID 135956380

IUPAC3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione
SMILESO=C1Nc2ccccc2/C1=N/N1C(=O)CNC1=O
InChIInChI=1S/C11H8N4O3/c16-8-5-12-11(18)15(8)14-9-6-3-1-2-4-7(6)13-10(9)17/h1-4H,5H2,(H,12,18)(H,13,14,17)
InChIKeySEXYXDVARGLOGK-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.11
Rot. Bonds1

About 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione

3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione (PubChem CID 135956380) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione
PubChem CID135956380
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione
SMILESO=C1Nc2ccccc2/C1=N/N1C(=O)CNC1=O
InChIInChI=1S/C11H8N4O3/c16-8-5-12-11(18)15(8)14-9-6-3-1-2-4-7(6)13-10(9)17/h1-4H,5H2,(H,12,18)(H,13,14,17)
InChIKeySEXYXDVARGLOGK-UHFFFAOYSA-N
XLogP-0.11
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
4,5,6,7-tetrachloro-2-[(E)-(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135908700
(3aR,7aR)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-3a,7a-dihydroisoindole-1,3-dione
CID 135583473
(3Z)-3-(3-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)imino-1H-indol-2-one
CID 162639351
3-(2,3-dihydroinden-1-ylideneamino)imidazolidine-2,4-dione
CID 4275919
3-[(1R,2R)-2-[(2-oxo-1H-indol-3-ylidene)amino]cyclohexyl]imino-1H-indol-2-one
CID 139084077
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
3-(4-phenylpiperazin-1-yl)imino-1H-indol-2-one
CID 135455698
3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
CID 135582235
3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
CID 135478235
(3E)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]imino-1H-indol-2-one
CID 135488924
(3E)-3-(4-benzylpiperazin-1-yl)imino-1H-indol-2-one
CID 135505311

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione?
The IUPAC name of 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione (CID 135956380) is 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione is O=C1Nc2ccccc2/C1=N/N1C(=O)CNC1=O.
What is the InChIKey of 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione?
The InChIKey is SEXYXDVARGLOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c16-8-5-12-11(18)15(8)14-9-6-3-1-2-4-7(6)13-10(9)17/h1-4H,5H2,(H,12,18)(H,13,14,17).
What are the key properties of 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione?
3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione has a molecular weight of 244.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione is sourced from PubChem (CID 135956380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).