lithium 4-phenylmorpholine

C10H12LiNO — CID 59446633

IUPAClithium 4-phenylmorpholine
SMILES[Li+].[c-]1cccc(N2CCOCC2)c1
InChIInChI=1S/C10H12NO.Li/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-2,4-5H,6-9H2;/q-1;+1
InChIKeyQZFCAUQFVQPBQV-UHFFFAOYSA-N
MW169.15 g/mol
LogP-1.67
Rot. Bonds1

About lithium 4-phenylmorpholine

lithium 4-phenylmorpholine (PubChem CID 59446633) has the molecular formula C10H12LiNO and a molecular weight of 169.15 g/mol. Its IUPAC name is lithium 4-phenylmorpholine.

Molecular Properties

Compound Namelithium 4-phenylmorpholine
PubChem CID59446633
Molecular FormulaC10H12LiNO
Molecular Weight169.15 g/mol
Exact Mass169.11
IUPAC Namelithium 4-phenylmorpholine
SMILES[Li+].[c-]1cccc(N2CCOCC2)c1
InChIInChI=1S/C10H12NO.Li/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-2,4-5H,6-9H2;/q-1;+1
InChIKeyQZFCAUQFVQPBQV-UHFFFAOYSA-N
XLogP-1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 5-1.67
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 4-phenylmorpholine?
The IUPAC name of lithium 4-phenylmorpholine (CID 59446633) is lithium 4-phenylmorpholine.
What is the SMILES notation for lithium 4-phenylmorpholine?
The canonical SMILES for lithium 4-phenylmorpholine is [Li+].[c-]1cccc(N2CCOCC2)c1.
What is the InChIKey of lithium 4-phenylmorpholine?
The InChIKey is QZFCAUQFVQPBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO.Li/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-2,4-5H,6-9H2;/q-1;+1.
What are the key properties of lithium 4-phenylmorpholine?
lithium 4-phenylmorpholine has a molecular weight of 169.15 g/mol, XLogP of -1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-phenylmorpholine is sourced from PubChem (CID 59446633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).