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

C10H9Cl2N3O — CID 135468255

IUPAC(3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one
SMILESCN(C)/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H9Cl2N3O/c1-15(2)14-9-6-3-5(11)4-7(12)8(6)13-10(9)16/h3-4H,1-2H3,(H,13,14,16)
InChIKeyXNAOJEMLOJUMPF-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.21
Rot. Bonds1

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

(3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one (PubChem CID 135468255) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one
PubChem CID135468255
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one
SMILESCN(C)/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H9Cl2N3O/c1-15(2)14-9-6-3-5(11)4-7(12)8(6)13-10(9)16/h3-4H,1-2H3,(H,13,14,16)
InChIKeyXNAOJEMLOJUMPF-UHFFFAOYSA-N
XLogP2.21
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.21
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 (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one (CID 135468255) is (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one is CN(C)/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21.
What is the InChIKey of (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one?
The InChIKey is XNAOJEMLOJUMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15(2)14-9-6-3-5(11)4-7(12)8(6)13-10(9)16/h3-4H,1-2H3,(H,13,14,16).
What are the key properties of (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one?
(3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one has a molecular weight of 258.11 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5,7-dichloro-3-(dimethylhydrazinylidene)-1H-indol-2-one is sourced from PubChem (CID 135468255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).