ethane;1-methylindole;oxalyl dichloride

C15H21Cl2NO2 — CID 90879364

IUPACethane;1-methylindole;oxalyl dichloride
SMILESCC.CC.Cn1ccc2ccccc21.O=C(Cl)C(=O)Cl
InChIInChI=1S/C9H9N.C2Cl2O2.2C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;3-1(5)2(4)6;2*1-2/h2-7H,1H3;;2*1-2H3
InChIKeyAMVHYHFYKROSEF-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.75
Rot. Bonds1

About ethane;1-methylindole;oxalyl dichloride

ethane;1-methylindole;oxalyl dichloride (PubChem CID 90879364) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is ethane;1-methylindole;oxalyl dichloride.

Molecular Properties

Compound Nameethane;1-methylindole;oxalyl dichloride
PubChem CID90879364
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Nameethane;1-methylindole;oxalyl dichloride
SMILESCC.CC.Cn1ccc2ccccc21.O=C(Cl)C(=O)Cl
InChIInChI=1S/C9H9N.C2Cl2O2.2C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;3-1(5)2(4)6;2*1-2/h2-7H,1H3;;2*1-2H3
InChIKeyAMVHYHFYKROSEF-UHFFFAOYSA-N
XLogP4.75
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylindole;oxalyl dichloride?
The IUPAC name of ethane;1-methylindole;oxalyl dichloride (CID 90879364) is ethane;1-methylindole;oxalyl dichloride.
What is the SMILES notation for ethane;1-methylindole;oxalyl dichloride?
The canonical SMILES for ethane;1-methylindole;oxalyl dichloride is CC.CC.Cn1ccc2ccccc21.O=C(Cl)C(=O)Cl.
What is the InChIKey of ethane;1-methylindole;oxalyl dichloride?
The InChIKey is AMVHYHFYKROSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2Cl2O2.2C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;3-1(5)2(4)6;2*1-2/h2-7H,1H3;;2*1-2H3.
What are the key properties of ethane;1-methylindole;oxalyl dichloride?
ethane;1-methylindole;oxalyl dichloride has a molecular weight of 318.24 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylindole;oxalyl dichloride is sourced from PubChem (CID 90879364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).