lithium 1-propan-2-yl-1,2-dihydroinden-2-ide

C12H13Li — CID 140544977

IUPAClithium 1-propan-2-yl-1,2-dihydroinden-2-ide
SMILESCC(C)C1[C-]=Cc2ccccc21.[Li+]
InChIInChI=1S/C12H13.Li/c1-9(2)11-8-7-10-5-3-4-6-12(10)11;/h3-7,9,11H,1-2H3;/q-1;+1
InChIKeyVTQYNXZGWYHYQL-UHFFFAOYSA-N
MW164.18 g/mol
LogP0.26
Rot. Bonds1

About lithium 1-propan-2-yl-1,2-dihydroinden-2-ide

lithium 1-propan-2-yl-1,2-dihydroinden-2-ide (PubChem CID 140544977) has the molecular formula C12H13Li and a molecular weight of 164.18 g/mol. Its IUPAC name is lithium 1-propan-2-yl-1,2-dihydroinden-2-ide.

Molecular Properties

Compound Namelithium 1-propan-2-yl-1,2-dihydroinden-2-ide
PubChem CID140544977
Molecular FormulaC12H13Li
Molecular Weight164.18 g/mol
Exact Mass164.12
IUPAC Namelithium 1-propan-2-yl-1,2-dihydroinden-2-ide
SMILESCC(C)C1[C-]=Cc2ccccc21.[Li+]
InChIInChI=1S/C12H13.Li/c1-9(2)11-8-7-10-5-3-4-6-12(10)11;/h3-7,9,11H,1-2H3;/q-1;+1
InChIKeyVTQYNXZGWYHYQL-UHFFFAOYSA-N
XLogP0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hafnium(4+);1-propan-2-yl-1,2-dihydroinden-2-ide;4,5,6,7-tetrahydro-1H-inden-1-ide;dibromide
CID 158526037
1-[bis(3,5-dimethylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
CID 158843998
1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
CID 159789565
1-butan-2-yl-1,2-dihydroinden-2-ide;carbanide;cyclopenta-1,3-diene;hafnium
CID 163362651
hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
CID 158792609
dibromotitanium;1-methyl-1,2-dihydroinden-2-ide
CID 174700744
lithium 1-butyl-1,2-dihydroinden-2-ide
CID 86706728
ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)
CID 140556750
carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
CID 163362666
1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride
CID 174711446
dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride
CID 161008960
1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;1-(2-methylpropyl)-1,2-dihydroinden-2-ide;titanium(4+);dichloride
CID 158169488

Frequently Asked Questions

What is the IUPAC name of lithium 1-propan-2-yl-1,2-dihydroinden-2-ide?
The IUPAC name of lithium 1-propan-2-yl-1,2-dihydroinden-2-ide (CID 140544977) is lithium 1-propan-2-yl-1,2-dihydroinden-2-ide.
What is the SMILES notation for lithium 1-propan-2-yl-1,2-dihydroinden-2-ide?
The canonical SMILES for lithium 1-propan-2-yl-1,2-dihydroinden-2-ide is CC(C)C1[C-]=Cc2ccccc21.[Li+].
What is the InChIKey of lithium 1-propan-2-yl-1,2-dihydroinden-2-ide?
The InChIKey is VTQYNXZGWYHYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13.Li/c1-9(2)11-8-7-10-5-3-4-6-12(10)11;/h3-7,9,11H,1-2H3;/q-1;+1.
What are the key properties of lithium 1-propan-2-yl-1,2-dihydroinden-2-ide?
lithium 1-propan-2-yl-1,2-dihydroinden-2-ide has a molecular weight of 164.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-propan-2-yl-1,2-dihydroinden-2-ide is sourced from PubChem (CID 140544977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).