1-(3-azidopropyl)pyrrolidine

C7H14N4 — CID 61396703

IUPAC1-(3-azidopropyl)pyrrolidine
SMILES[N-]=[N+]=NCCCN1CCCC1
InChIInChI=1S/C7H14N4/c8-10-9-4-3-7-11-5-1-2-6-11/h1-7H2
InChIKeyLCMFZELIFNFHDZ-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.78
Rot. Bonds4

About 1-(3-azidopropyl)pyrrolidine

1-(3-azidopropyl)pyrrolidine (PubChem CID 61396703) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(3-azidopropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-azidopropyl)pyrrolidine
PubChem CID61396703
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(3-azidopropyl)pyrrolidine
SMILES[N-]=[N+]=NCCCN1CCCC1
InChIInChI=1S/C7H14N4/c8-10-9-4-3-7-11-5-1-2-6-11/h1-7H2
InChIKeyLCMFZELIFNFHDZ-UHFFFAOYSA-N
XLogP1.78
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)pyrrolidine?
The IUPAC name of 1-(3-azidopropyl)pyrrolidine (CID 61396703) is 1-(3-azidopropyl)pyrrolidine.
What is the SMILES notation for 1-(3-azidopropyl)pyrrolidine?
The canonical SMILES for 1-(3-azidopropyl)pyrrolidine is [N-]=[N+]=NCCCN1CCCC1.
What is the InChIKey of 1-(3-azidopropyl)pyrrolidine?
The InChIKey is LCMFZELIFNFHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c8-10-9-4-3-7-11-5-1-2-6-11/h1-7H2.
What are the key properties of 1-(3-azidopropyl)pyrrolidine?
1-(3-azidopropyl)pyrrolidine has a molecular weight of 154.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)pyrrolidine is sourced from PubChem (CID 61396703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).