lithium [(2S)-pyrrolidin-2-yl]methanone

C5H8LiNO — CID 175873779

IUPAClithium [(2S)-pyrrolidin-2-yl]methanone
SMILESO=[C-][C@@H]1CCCN1.[Li+]
InChIInChI=1S/C5H8NO.Li/c7-4-5-2-1-3-6-5;/h5-6H,1-3H2;/q-1;+1/t5-;/m0./s1
InChIKeyYZZCXQNXIKRCJF-JEDNCBNOSA-N
MW105.07 g/mol
LogP-3.15
Rot. Bonds1

About lithium [(2S)-pyrrolidin-2-yl]methanone

lithium [(2S)-pyrrolidin-2-yl]methanone (PubChem CID 175873779) has the molecular formula C5H8LiNO and a molecular weight of 105.07 g/mol. Its IUPAC name is lithium [(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namelithium [(2S)-pyrrolidin-2-yl]methanone
PubChem CID175873779
Molecular FormulaC5H8LiNO
Molecular Weight105.07 g/mol
Exact Mass105.08
IUPAC Namelithium [(2S)-pyrrolidin-2-yl]methanone
SMILESO=[C-][C@@H]1CCCN1.[Li+]
InChIInChI=1S/C5H8NO.Li/c7-4-5-2-1-3-6-5;/h5-6H,1-3H2;/q-1;+1/t5-;/m0./s1
InChIKeyYZZCXQNXIKRCJF-JEDNCBNOSA-N
XLogP-3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.07
LogP ≤ 5-3.15
H-Bond Donors ≤ 51
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 [(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of lithium [(2S)-pyrrolidin-2-yl]methanone (CID 175873779) is lithium [(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for lithium [(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for lithium [(2S)-pyrrolidin-2-yl]methanone is O=[C-][C@@H]1CCCN1.[Li+].
What is the InChIKey of lithium [(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is YZZCXQNXIKRCJF-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H8NO.Li/c7-4-5-2-1-3-6-5;/h5-6H,1-3H2;/q-1;+1/t5-;/m0./s1.
What are the key properties of lithium [(2S)-pyrrolidin-2-yl]methanone?
lithium [(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 105.07 g/mol, XLogP of -3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 175873779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).