CID 172913564

C10H16N2O6 — CID 172913564

About CID 172913564

CID 172913564 (PubChem CID 172913564) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol.

Molecular Properties

• Compound Name: CID 172913564
• PubChem CID: 172913564
• Molecular Formula: C10H16N2O6
• Molecular Weight: 260.25 g/mol
• Exact Mass: 260.10
• IUPAC Name: —
• SMILES: COCCOCCC(=O)ON1C(=O)CCC1=O.[NH]
• InChI: InChI=1S/C10H15NO6.HN/c1-15-6-7-16-5-4-10(14)17-11-8(12)2-3-9(11)13;/h2-7H2,1H3;1H
• InChIKey: OVGAOYXWONGBCC-UHFFFAOYSA-N
• XLogP: -0.62
• TPSA: 114.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.25
LogP ≤ 5	-0.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 172913564?

The IUPAC name of CID 172913564 (CID 172913564) is not available.

What is the SMILES notation for CID 172913564?

The canonical SMILES for CID 172913564 is COCCOCCC(=O)ON1C(=O)CCC1=O.[NH].

What is the InChIKey of CID 172913564?

The InChIKey is OVGAOYXWONGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6.HN/c1-15-6-7-16-5-4-10(14)17-11-8(12)2-3-9(11)13;/h2-7H2,1H3;1H.

What are the key properties of CID 172913564?

CID 172913564 has a molecular weight of 260.25 g/mol, XLogP of -0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 172913564 is sourced from PubChem (CID 172913564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).