sulfuric acid;1,2,3,3-tetramethyl-2H-indole

C12H19NO4S — CID 69432557

IUPACsulfuric acid;1,2,3,3-tetramethyl-2H-indole
SMILESCC1N(C)c2ccccc2C1(C)C.O=S(=O)(O)O
InChIInChI=1S/C12H17N.H2O4S/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5(2,3)4/h5-9H,1-4H3;(H2,1,2,3,4)
InChIKeyHEHYBCHFICEGKK-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.15
Rot. Bonds

About sulfuric acid;1,2,3,3-tetramethyl-2H-indole

sulfuric acid;1,2,3,3-tetramethyl-2H-indole (PubChem CID 69432557) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is sulfuric acid;1,2,3,3-tetramethyl-2H-indole.

Molecular Properties

Compound Namesulfuric acid;1,2,3,3-tetramethyl-2H-indole
PubChem CID69432557
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Namesulfuric acid;1,2,3,3-tetramethyl-2H-indole
SMILESCC1N(C)c2ccccc2C1(C)C.O=S(=O)(O)O
InChIInChI=1S/C12H17N.H2O4S/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5(2,3)4/h5-9H,1-4H3;(H2,1,2,3,4)
InChIKeyHEHYBCHFICEGKK-UHFFFAOYSA-N
XLogP2.15
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;1,2,3,3-tetramethyl-2H-indole?
The IUPAC name of sulfuric acid;1,2,3,3-tetramethyl-2H-indole (CID 69432557) is sulfuric acid;1,2,3,3-tetramethyl-2H-indole.
What is the SMILES notation for sulfuric acid;1,2,3,3-tetramethyl-2H-indole?
The canonical SMILES for sulfuric acid;1,2,3,3-tetramethyl-2H-indole is CC1N(C)c2ccccc2C1(C)C.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;1,2,3,3-tetramethyl-2H-indole?
The InChIKey is HEHYBCHFICEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.H2O4S/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5(2,3)4/h5-9H,1-4H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;1,2,3,3-tetramethyl-2H-indole?
sulfuric acid;1,2,3,3-tetramethyl-2H-indole has a molecular weight of 273.35 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;1,2,3,3-tetramethyl-2H-indole is sourced from PubChem (CID 69432557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).