CID 70060770

C7H13NNaO2 — CID 70060770

IUPAC—
SMILESCC(=O)OC1CCNCC1.[Na]
InChIInChI=1S/C7H13NO2.Na/c1-6(9)10-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;
InChIKeyTXXYEQBZOUGWKU-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.08
Rot. Bonds1

About CID 70060770

CID 70060770 (PubChem CID 70060770) has the molecular formula C7H13NNaO2 and a molecular weight of 166.18 g/mol.

Molecular Properties

Compound NameCID 70060770
PubChem CID70060770
Molecular FormulaC7H13NNaO2
Molecular Weight166.18 g/mol
Exact Mass166.08
IUPAC Name—
SMILESCC(=O)OC1CCNCC1.[Na]
InChIInChI=1S/C7H13NO2.Na/c1-6(9)10-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;
InChIKeyTXXYEQBZOUGWKU-UHFFFAOYSA-N
XLogP-0.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 70060770 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 70060770?
The IUPAC name of CID 70060770 (CID 70060770) is not available.
What is the SMILES notation for CID 70060770?
The canonical SMILES for CID 70060770 is CC(=O)OC1CCNCC1.[Na].
What is the InChIKey of CID 70060770?
The InChIKey is TXXYEQBZOUGWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.Na/c1-6(9)10-7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;.
What are the key properties of CID 70060770?
CID 70060770 has a molecular weight of 166.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70060770 is sourced from PubChem (CID 70060770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).