bis(azidomethyl) pentanedioate

C7H10N6O4 — CID 118634110

IUPACbis(azidomethyl) pentanedioate
SMILES[N-]=[N+]=NCOC(=O)CCCC(=O)OCN=[N+]=[N-]
InChIInChI=1S/C7H10N6O4/c8-12-10-4-16-6(14)2-1-3-7(15)17-5-11-13-9/h1-5H2
InChIKeyXZQSKZRQIANJBT-UHFFFAOYSA-N
MW242.19 g/mol
LogP1.78
Rot. Bonds8

About bis(azidomethyl) pentanedioate

bis(azidomethyl) pentanedioate (PubChem CID 118634110) has the molecular formula C7H10N6O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is bis(azidomethyl) pentanedioate.

Molecular Properties

Compound Namebis(azidomethyl) pentanedioate
PubChem CID118634110
Molecular FormulaC7H10N6O4
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Namebis(azidomethyl) pentanedioate
SMILES[N-]=[N+]=NCOC(=O)CCCC(=O)OCN=[N+]=[N-]
InChIInChI=1S/C7H10N6O4/c8-12-10-4-16-6(14)2-1-3-7(15)17-5-11-13-9/h1-5H2
InChIKeyXZQSKZRQIANJBT-UHFFFAOYSA-N
XLogP1.78
TPSA150.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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ethyl 5-azidopentanoate;prop-1-yne
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ethyl 7-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]heptanoate
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5-azidopentyl 3-[bis[3-(5-azidopentoxy)-3-oxopropyl]amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of bis(azidomethyl) pentanedioate?
The IUPAC name of bis(azidomethyl) pentanedioate (CID 118634110) is bis(azidomethyl) pentanedioate.
What is the SMILES notation for bis(azidomethyl) pentanedioate?
The canonical SMILES for bis(azidomethyl) pentanedioate is [N-]=[N+]=NCOC(=O)CCCC(=O)OCN=[N+]=[N-].
What is the InChIKey of bis(azidomethyl) pentanedioate?
The InChIKey is XZQSKZRQIANJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O4/c8-12-10-4-16-6(14)2-1-3-7(15)17-5-11-13-9/h1-5H2.
What are the key properties of bis(azidomethyl) pentanedioate?
bis(azidomethyl) pentanedioate has a molecular weight of 242.19 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(azidomethyl) pentanedioate is sourced from PubChem (CID 118634110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).