(3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one

C17H17N3O — CID 135817576

IUPAC(3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)/C(=N/N(C)c1ccccc1)C(=O)N2
InChIInChI=1S/C17H17N3O/c1-11-9-12(2)15-14(10-11)16(17(21)18-15)19-20(3)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19,21)
InChIKeyLWNQEFVZXLIBTE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.10
Rot. Bonds2

About (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one

(3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one (PubChem CID 135817576) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
PubChem CID135817576
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)/C(=N/N(C)c1ccccc1)C(=O)N2
InChIInChI=1S/C17H17N3O/c1-11-9-12(2)15-14(10-11)16(17(21)18-15)19-20(3)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19,21)
InChIKeyLWNQEFVZXLIBTE-UHFFFAOYSA-N
XLogP3.10
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.10
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'}

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Related Compounds

3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one
CID 137199829
(3Z)-5-chloro-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one
CID 135747131
(3E)-5,7-dimethyl-3-(4-methylpiperazin-1-yl)imino-1H-indol-2-one
CID 135881263
7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275338
3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methoxyimino]-5,7-dimethyl-1H-indol-2-one
CID 136518267
7-methyl-3-(2-methylphenyl)imino-1H-indol-2-one
CID 135559433
(3E)-5-methyl-3-[(N-methylanilino)methylidene]-1H-indol-2-one
CID 113196655
5-bromo-3-(3-chlorophenyl)imino-7-methyl-1H-indol-2-one
CID 135559702
1-N-(4-tert-butyl-2,6-dimethylphenyl)-4-N-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-1-N-phenyl-4-N-(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 59426672
1-methyl-1-[(2-oxo-1H-indol-3-ylidene)amino]thiourea
CID 136914456
7-methyl-3-(4-phenoxyphenyl)imino-1H-indol-2-one
CID 135559403
5-tert-butyl-7-methyl-1H-indole-2,3-dione
CID 126751052

Frequently Asked Questions

What is the IUPAC name of (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one (CID 135817576) is (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one is Cc1cc(C)c2c(c1)/C(=N/N(C)c1ccccc1)C(=O)N2.
What is the InChIKey of (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one?
The InChIKey is LWNQEFVZXLIBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-9-12(2)15-14(10-11)16(17(21)18-15)19-20(3)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,18,19,21).
What are the key properties of (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one?
(3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5,7-dimethyl-3-[methyl(phenyl)hydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135817576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).