lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one

C17H22LiNO — CID 135008506

IUPAClithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one
SMILESCCC(CC)(CC)C(=O)n1cc(C)c2ccc[c-]c21.[Li+]
InChIInChI=1S/C17H22NO.Li/c1-5-17(6-2,7-3)16(19)18-12-13(4)14-10-8-9-11-15(14)18;/h8-10,12H,5-7H2,1-4H3;/q-1;+1
InChIKeyCOKUORNNEJPJPC-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.61
Rot. Bonds4

About lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one

lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one (PubChem CID 135008506) has the molecular formula C17H22LiNO and a molecular weight of 263.31 g/mol. Its IUPAC name is lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one.

Molecular Properties

Compound Namelithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one
PubChem CID135008506
Molecular FormulaC17H22LiNO
Molecular Weight263.31 g/mol
Exact Mass263.19
IUPAC Namelithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one
SMILESCCC(CC)(CC)C(=O)n1cc(C)c2ccc[c-]c21.[Li+]
InChIInChI=1S/C17H22NO.Li/c1-5-17(6-2,7-3)16(19)18-12-13(4)14-10-8-9-11-15(14)18;/h8-10,12H,5-7H2,1-4H3;/q-1;+1
InChIKeyCOKUORNNEJPJPC-UHFFFAOYSA-N
XLogP1.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one?
The IUPAC name of lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one (CID 135008506) is lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one.
What is the SMILES notation for lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one?
The canonical SMILES for lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one is CCC(CC)(CC)C(=O)n1cc(C)c2ccc[c-]c21.[Li+].
What is the InChIKey of lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one?
The InChIKey is COKUORNNEJPJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO.Li/c1-5-17(6-2,7-3)16(19)18-12-13(4)14-10-8-9-11-15(14)18;/h8-10,12H,5-7H2,1-4H3;/q-1;+1.
What are the key properties of lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one?
lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one has a molecular weight of 263.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2-diethyl-1-(3-methyl-7H-indol-7-id-1-yl)butan-1-one is sourced from PubChem (CID 135008506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).