CID 102280620

C7H11Li2NO — CID 102280620

IUPAC—
SMILESC/[C]=C(\[O-])N1CCCC1.[Li+].[Li]
InChIInChI=1S/C7H12NO.2Li/c1-2-7(9)8-5-3-4-6-8;;/h9H,3-6H2,1H3;;/q;;+1/p-1
InChIKeyFSOJSCZKLMXHPW-UHFFFAOYSA-M
MW139.05 g/mol
LogP-3.27
Rot. Bonds1

About CID 102280620

CID 102280620 (PubChem CID 102280620) has the molecular formula C7H11Li2NO and a molecular weight of 139.05 g/mol.

Molecular Properties

Compound NameCID 102280620
PubChem CID102280620
Molecular FormulaC7H11Li2NO
Molecular Weight139.05 g/mol
Exact Mass139.12
IUPAC Name—
SMILESC/[C]=C(\[O-])N1CCCC1.[Li+].[Li]
InChIInChI=1S/C7H12NO.2Li/c1-2-7(9)8-5-3-4-6-8;;/h9H,3-6H2,1H3;;/q;;+1/p-1
InChIKeyFSOJSCZKLMXHPW-UHFFFAOYSA-M
XLogP-3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.05
LogP ≤ 5-3.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102280620?
The IUPAC name of CID 102280620 (CID 102280620) is not available.
What is the SMILES notation for CID 102280620?
The canonical SMILES for CID 102280620 is C/[C]=C(\[O-])N1CCCC1.[Li+].[Li].
What is the InChIKey of CID 102280620?
The InChIKey is FSOJSCZKLMXHPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12NO.2Li/c1-2-7(9)8-5-3-4-6-8;;/h9H,3-6H2,1H3;;/q;;+1/p-1.
What are the key properties of CID 102280620?
CID 102280620 has a molecular weight of 139.05 g/mol, XLogP of -3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102280620 is sourced from PubChem (CID 102280620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).