CID 175766010

C7H13LiNO3 — CID 175766010

IUPAC—
SMILESCOCCCN1CC1C(=O)O.[Li]
InChIInChI=1S/C7H13NO3.Li/c1-11-4-2-3-8-5-6(8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);
InChIKeyXNROKLZRHUQYBW-UHFFFAOYSA-N
MW166.13 g/mol
LogP-0.59
Rot. Bonds5

About CID 175766010

CID 175766010 (PubChem CID 175766010) has the molecular formula C7H13LiNO3 and a molecular weight of 166.13 g/mol.

Molecular Properties

Compound NameCID 175766010
PubChem CID175766010
Molecular FormulaC7H13LiNO3
Molecular Weight166.13 g/mol
Exact Mass166.11
IUPAC Name—
SMILESCOCCCN1CC1C(=O)O.[Li]
InChIInChI=1S/C7H13NO3.Li/c1-11-4-2-3-8-5-6(8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);
InChIKeyXNROKLZRHUQYBW-UHFFFAOYSA-N
XLogP-0.59
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze CID 175766010 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 175766010?
The IUPAC name of CID 175766010 (CID 175766010) is not available.
What is the SMILES notation for CID 175766010?
The canonical SMILES for CID 175766010 is COCCCN1CC1C(=O)O.[Li].
What is the InChIKey of CID 175766010?
The InChIKey is XNROKLZRHUQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.Li/c1-11-4-2-3-8-5-6(8)7(9)10;/h6H,2-5H2,1H3,(H,9,10);.
What are the key properties of CID 175766010?
CID 175766010 has a molecular weight of 166.13 g/mol, XLogP of -0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175766010 is sourced from PubChem (CID 175766010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).