methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole

C23H35N3O7S2 — CID 159706626

IUPACmethane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole
SMILESC.CC(=O)C(C)C.CC1=Nc2ccccc2C1(C)C.NNc1ccccc1.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C11H13N.C6H8N2.C5H10O.CH4.2O3S/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;7-8-6-4-2-1-3-5-6;1-4(2)5(3)6;;2*1-4(2)3/h4-7H,1-3H3;1-5,8H,7H2;4H,1-3H3;1H4;;
InChIKeyMYHGXLZPEVDWJQ-UHFFFAOYSA-N
MW529.68 g/mol
LogP3.90
Rot. Bonds2

About methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole

methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole (PubChem CID 159706626) has the molecular formula C23H35N3O7S2 and a molecular weight of 529.68 g/mol. Its IUPAC name is methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole.

Molecular Properties

Compound Namemethane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole
PubChem CID159706626
Molecular FormulaC23H35N3O7S2
Molecular Weight529.68 g/mol
Exact Mass529.19
IUPAC Namemethane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole
SMILESC.CC(=O)C(C)C.CC1=Nc2ccccc2C1(C)C.NNc1ccccc1.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C11H13N.C6H8N2.C5H10O.CH4.2O3S/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;7-8-6-4-2-1-3-5-6;1-4(2)5(3)6;;2*1-4(2)3/h4-7H,1-3H3;1-5,8H,7H2;4H,1-3H3;1H4;;
InChIKeyMYHGXLZPEVDWJQ-UHFFFAOYSA-N
XLogP3.90
TPSA169.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.68
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole?
The IUPAC name of methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole (CID 159706626) is methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole.
What is the SMILES notation for methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole?
The canonical SMILES for methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole is C.CC(=O)C(C)C.CC1=Nc2ccccc2C1(C)C.NNc1ccccc1.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole?
The InChIKey is MYHGXLZPEVDWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C6H8N2.C5H10O.CH4.2O3S/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;7-8-6-4-2-1-3-5-6;1-4(2)5(3)6;;2*1-4(2)3/h4-7H,1-3H3;1-5,8H,7H2;4H,1-3H3;1H4;;.
What are the key properties of methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole?
methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole has a molecular weight of 529.68 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylbutan-2-one;phenylhydrazine;bis(sulfur trioxide);2,3,3-trimethylindole is sourced from PubChem (CID 159706626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).