7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide

C10H17NO5 — CID 87395608

IUPAC7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide
SMILESNC(=O)C1COOC2(CCCCC2)OOC1
InChIInChI=1S/C10H17NO5/c11-9(12)8-6-13-15-10(16-14-7-8)4-2-1-3-5-10/h8H,1-7H2,(H2,11,12)
InChIKeyRRDYSIPYYZOUNC-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.66
Rot. Bonds1

About 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide

7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide (PubChem CID 87395608) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide.

Molecular Properties

Compound Name7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide
PubChem CID87395608
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide
SMILESNC(=O)C1COOC2(CCCCC2)OOC1
InChIInChI=1S/C10H17NO5/c11-9(12)8-6-13-15-10(16-14-7-8)4-2-1-3-5-10/h8H,1-7H2,(H2,11,12)
InChIKeyRRDYSIPYYZOUNC-UHFFFAOYSA-N
XLogP0.66
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide?
The IUPAC name of 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide (CID 87395608) is 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide.
What is the SMILES notation for 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide?
The canonical SMILES for 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide is NC(=O)C1COOC2(CCCCC2)OOC1.
What is the InChIKey of 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide?
The InChIKey is RRDYSIPYYZOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c11-9(12)8-6-13-15-10(16-14-7-8)4-2-1-3-5-10/h8H,1-7H2,(H2,11,12).
What are the key properties of 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide?
7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,12,13-tetraoxaspiro[5.7]tridecane-10-carboxamide is sourced from PubChem (CID 87395608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).