CID 100948564

C11H13Li2NO — CID 100948564

IUPAC—
SMILESCC(C)(C)/C([O-])=N/c1[c]cccc1.[Li+].[Li]
InChIInChI=1S/C11H14NO.2Li/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;;/h4-7H,1-3H3,(H,12,13);;/q;;+1/p-1
InChIKeyRLEMVJRCSUZZBW-UHFFFAOYSA-M
MW189.11 g/mol
LogP-1.45
Rot. Bonds1

About CID 100948564

CID 100948564 (PubChem CID 100948564) has the molecular formula C11H13Li2NO and a molecular weight of 189.11 g/mol.

Molecular Properties

Compound NameCID 100948564
PubChem CID100948564
Molecular FormulaC11H13Li2NO
Molecular Weight189.11 g/mol
Exact Mass189.13
IUPAC Name—
SMILESCC(C)(C)/C([O-])=N/c1[c]cccc1.[Li+].[Li]
InChIInChI=1S/C11H14NO.2Li/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;;/h4-7H,1-3H3,(H,12,13);;/q;;+1/p-1
InChIKeyRLEMVJRCSUZZBW-UHFFFAOYSA-M
XLogP-1.45
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 100948564?
The IUPAC name of CID 100948564 (CID 100948564) is not available.
What is the SMILES notation for CID 100948564?
The canonical SMILES for CID 100948564 is CC(C)(C)/C([O-])=N/c1[c]cccc1.[Li+].[Li].
What is the InChIKey of CID 100948564?
The InChIKey is RLEMVJRCSUZZBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14NO.2Li/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;;/h4-7H,1-3H3,(H,12,13);;/q;;+1/p-1.
What are the key properties of CID 100948564?
CID 100948564 has a molecular weight of 189.11 g/mol, XLogP of -1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100948564 is sourced from PubChem (CID 100948564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).