lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide

C7H11LiN2 — CID 134940683

IUPAClithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide
SMILES[CH-]1CCN2CCCN=C12.[Li+]
InChIInChI=1S/C7H11N2.Li/c1-3-7-8-4-2-6-9(7)5-1;/h3H,1-2,4-6H2;/q-1;+1
InChIKeyULXSJPCOPPBNRS-UHFFFAOYSA-N
MW130.12 g/mol
LogP-2.30
Rot. Bonds

About lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide

lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide (PubChem CID 134940683) has the molecular formula C7H11LiN2 and a molecular weight of 130.12 g/mol. Its IUPAC name is lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide.

Molecular Properties

Compound Namelithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide
PubChem CID134940683
Molecular FormulaC7H11LiN2
Molecular Weight130.12 g/mol
Exact Mass130.11
IUPAC Namelithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide
SMILES[CH-]1CCN2CCCN=C12.[Li+]
InChIInChI=1S/C7H11N2.Li/c1-3-7-8-4-2-6-9(7)5-1;/h3H,1-2,4-6H2;/q-1;+1
InChIKeyULXSJPCOPPBNRS-UHFFFAOYSA-N
XLogP-2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-2.30
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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Related Compounds

1,5-Diazabicyclo(4.3.0)non-5-ene
CID 76349
Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
5-(Pyrrolidin-1-yl)-3,4-dihydro-2H-pyrrole
CID 330201
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium iodide
CID 118719136
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
(1-Methylpyrrolidin-2-ylidene)cyanamide
CID 379672
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium
CID 15935236
7-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808206
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium bromide
CID 15935235
2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine;hydrobromide
CID 19608297
5-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-5-ium
CID 19871527
8-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 22670659

Frequently Asked Questions

What is the IUPAC name of lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide?
The IUPAC name of lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide (CID 134940683) is lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide.
What is the SMILES notation for lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide?
The canonical SMILES for lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide is [CH-]1CCN2CCCN=C12.[Li+].
What is the InChIKey of lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide?
The InChIKey is ULXSJPCOPPBNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2.Li/c1-3-7-8-4-2-6-9(7)5-1;/h3H,1-2,4-6H2;/q-1;+1.
What are the key properties of lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide?
lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide has a molecular weight of 130.12 g/mol, XLogP of -2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-8-ide is sourced from PubChem (CID 134940683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).