1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea

C11H12N4O2 — CID 6152082

IUPAC1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea
SMILESCN(/N=C1/C(=O)N(C)c2ccccc21)C(N)=O
InChIInChI=1S/C11H12N4O2/c1-14-8-6-4-3-5-7(8)9(10(14)16)13-15(2)11(12)17/h3-6H,1-2H3,(H2,12,17)/b13-9+
InChIKeyXUCBIWJFJBPGNR-UKTHLTGXSA-N
MW232.24 g/mol
LogP0.38
Rot. Bonds1

About 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea

1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea (PubChem CID 6152082) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea.

Molecular Properties

Compound Name1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea
PubChem CID6152082
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea
SMILESCN(/N=C1/C(=O)N(C)c2ccccc21)C(N)=O
InChIInChI=1S/C11H12N4O2/c1-14-8-6-4-3-5-7(8)9(10(14)16)13-15(2)11(12)17/h3-6H,1-2H3,(H2,12,17)/b13-9+
InChIKeyXUCBIWJFJBPGNR-UKTHLTGXSA-N
XLogP0.38
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-Methylspiro[benzimidazole-2,3'-indole]-2'-one
CID 659228
1,3,3-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 13785415
3,3-dimethyl-5-(5-methyl-3-oxo-4,5-dihydro-2H-1,2,4-triazin-6-yl)-1H-indol-2-one
CID 15111562
2-Indolinone, 3-(methylimino)-
CID 135522218
1-Methyl-3-[(methylphenylamino)azamethylene]benzo[d]azolin-2-one
CID 5331878
N-hydroxy-7-[(3E)-3-methoxyimino-2-oxoindol-1-yl]heptanamide
CID 76324463
N-benzyl-1-methyl-2-oxoindol-3-imine oxide
CID 145981593
N-methyl-N-{4-[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]phenyl}acetamide
CID 135453574
3-(Diphenylhydrazinylidene)-1-methylindol-2-one
CID 360689
1-methyl-3-[(4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 2816035
3-((4-(Dimethylamino)phenyl)imino)indolin-2-one
CID 135402333
(E)-N'-(2-oxoindolin-3-ylidene)-N-phenylacetohydrazide
CID 135650515

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea?
The IUPAC name of 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea (CID 6152082) is 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea.
What is the SMILES notation for 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea?
The canonical SMILES for 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea is CN(/N=C1/C(=O)N(C)c2ccccc21)C(N)=O.
What is the InChIKey of 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea?
The InChIKey is XUCBIWJFJBPGNR-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-14-8-6-4-3-5-7(8)9(10(14)16)13-15(2)11(12)17/h3-6H,1-2H3,(H2,12,17)/b13-9+.
What are the key properties of 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea?
1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea has a molecular weight of 232.24 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]urea is sourced from PubChem (CID 6152082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).