3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one

C12H15N3O — CID 137199829

IUPAC3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)C(=NN(C)C)C(=O)N2
InChIInChI=1S/C12H15N3O/c1-7-5-8(2)10-9(6-7)11(12(16)13-10)14-15(3)4/h5-6H,1-4H3,(H,13,14,16)
InChIKeyMNELMGVIGWIBLM-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.52
Rot. Bonds1

About 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one

3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one (PubChem CID 137199829) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one
PubChem CID137199829
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)C(=NN(C)C)C(=O)N2
InChIInChI=1S/C12H15N3O/c1-7-5-8(2)10-9(6-7)11(12(16)13-10)14-15(3)4/h5-6H,1-4H3,(H,13,14,16)
InChIKeyMNELMGVIGWIBLM-UHFFFAOYSA-N
XLogP1.52
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one?
The IUPAC name of 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one (CID 137199829) is 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one.
What is the SMILES notation for 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one?
The canonical SMILES for 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one is Cc1cc(C)c2c(c1)C(=NN(C)C)C(=O)N2.
What is the InChIKey of 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one?
The InChIKey is MNELMGVIGWIBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-5-8(2)10-9(6-7)11(12(16)13-10)14-15(3)4/h5-6H,1-4H3,(H,13,14,16).
What are the key properties of 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one?
3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylhydrazinylidene)-5,7-dimethyl-1H-indol-2-one is sourced from PubChem (CID 137199829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).