lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide

C14H24LiN — CID 87312148

IUPAClithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide
SMILESCCC(C)(C)c1[c-]cc(C(C)(C)CC)[nH]1.[Li+]
InChIInChI=1S/C14H24N.Li/c1-7-13(3,4)11-9-10-12(15-11)14(5,6)8-2;/h9,15H,7-8H2,1-6H3;/q-1;+1
InChIKeyIIIYNLWLIPSSBQ-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.19
Rot. Bonds4

About lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide

lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide (PubChem CID 87312148) has the molecular formula C14H24LiN and a molecular weight of 213.29 g/mol. Its IUPAC name is lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide.

Molecular Properties

Compound Namelithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide
PubChem CID87312148
Molecular FormulaC14H24LiN
Molecular Weight213.29 g/mol
Exact Mass213.21
IUPAC Namelithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide
SMILESCCC(C)(C)c1[c-]cc(C(C)(C)CC)[nH]1.[Li+]
InChIInChI=1S/C14H24N.Li/c1-7-13(3,4)11-9-10-12(15-11)14(5,6)8-2;/h9,15H,7-8H2,1-6H3;/q-1;+1
InChIKeyIIIYNLWLIPSSBQ-UHFFFAOYSA-N
XLogP1.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide?
The IUPAC name of lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide (CID 87312148) is lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide.
What is the SMILES notation for lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide?
The canonical SMILES for lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide is CCC(C)(C)c1[c-]cc(C(C)(C)CC)[nH]1.[Li+].
What is the InChIKey of lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide?
The InChIKey is IIIYNLWLIPSSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N.Li/c1-7-13(3,4)11-9-10-12(15-11)14(5,6)8-2;/h9,15H,7-8H2,1-6H3;/q-1;+1.
What are the key properties of lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide?
lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide has a molecular weight of 213.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,5-bis(2-methylbutan-2-yl)-1,3-dihydropyrrol-3-ide is sourced from PubChem (CID 87312148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).