CID 70395227

C4H5LiNO2 — CID 70395227

IUPAC—
SMILESO=C1CCC(=O)N1.[Li]
InChIInChI=1S/C4H5NO2.Li/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);
InChIKeyBQHFFVOFLNRYRN-UHFFFAOYSA-N
MW106.03 g/mol
LogP-0.96
Rot. Bonds

About CID 70395227

CID 70395227 (PubChem CID 70395227) has the molecular formula C4H5LiNO2 and a molecular weight of 106.03 g/mol.

Molecular Properties

Compound NameCID 70395227
PubChem CID70395227
Molecular FormulaC4H5LiNO2
Molecular Weight106.03 g/mol
Exact Mass106.05
IUPAC Name—
SMILESO=C1CCC(=O)N1.[Li]
InChIInChI=1S/C4H5NO2.Li/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);
InChIKeyBQHFFVOFLNRYRN-UHFFFAOYSA-N
XLogP-0.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.03
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70395227?
The IUPAC name of CID 70395227 (CID 70395227) is not available.
What is the SMILES notation for CID 70395227?
The canonical SMILES for CID 70395227 is O=C1CCC(=O)N1.[Li].
What is the InChIKey of CID 70395227?
The InChIKey is BQHFFVOFLNRYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.Li/c6-3-1-2-4(7)5-3;/h1-2H2,(H,5,6,7);.
What are the key properties of CID 70395227?
CID 70395227 has a molecular weight of 106.03 g/mol, XLogP of -0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70395227 is sourced from PubChem (CID 70395227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).