(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one

C17H15N3O — CID 9214035

IUPAC(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one
SMILESCc1ccc(/C=N\N=C2\C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)11-18-19-16-14-5-3-4-6-15(14)20(2)17(16)21/h3-11H,1-2H3/b18-11-,19-16+
InChIKeyPSKLADRMGPNBDV-JUQPQYPPSA-N
MW277.33 g/mol
LogP2.79
Rot. Bonds2

About (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one

(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one (PubChem CID 9214035) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one
PubChem CID9214035
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one
SMILESCc1ccc(/C=N\N=C2\C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)11-18-19-16-14-5-3-4-6-15(14)20(2)17(16)21/h3-11H,1-2H3/b18-11-,19-16+
InChIKeyPSKLADRMGPNBDV-JUQPQYPPSA-N
XLogP2.79
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
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 (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one 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

(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
(3E)-3-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-1-methylindol-2-one
CID 17368285
(3Z)-3-[(Z)-(3-hydroxy-4-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214073
3-hydroxy-4-[[(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-2-(4-methylphenyl)isoquinolin-1-one
CID 2533545
(3Z)-3-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214138
(3Z)-3-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 135577165
(3Z)-3-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylidenehydrazinylidene]-1-methylindol-2-one
CID 9213858
2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213842
(3E)-3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 135577138
2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 4312042
N-ethyl-2-[2-methoxy-4-[(Z)-[(Z)-(1-methyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]phenoxy]acetamide
CID 9213838
(3E)-1-methyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylidenehydrazinylidene]indol-2-one
CID 8978857

Frequently Asked Questions

What is the IUPAC name of (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one?
The IUPAC name of (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one (CID 9214035) is (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one?
The canonical SMILES for (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one is Cc1ccc(/C=N\N=C2\C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one?
The InChIKey is PSKLADRMGPNBDV-JUQPQYPPSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)11-18-19-16-14-5-3-4-6-15(14)20(2)17(16)21/h3-11H,1-2H3/b18-11-,19-16+.
What are the key properties of (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one?
(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one has a molecular weight of 277.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 9214035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).