2-[3-(azidomethyl)pent-3-enyl]imidazolidine

C9H17N5 — CID 73450254

IUPAC2-[3-(azidomethyl)pent-3-enyl]imidazolidine
SMILESCC=C(CCC1NCCN1)CN=[N+]=[N-]
InChIInChI=1S/C9H17N5/c1-2-8(7-13-14-10)3-4-9-11-5-6-12-9/h2,9,11-12H,3-7H2,1H3
InChIKeyNZLGWLVZYFRGOR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.54
Rot. Bonds5

About 2-[3-(azidomethyl)pent-3-enyl]imidazolidine

2-[3-(azidomethyl)pent-3-enyl]imidazolidine (PubChem CID 73450254) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[3-(azidomethyl)pent-3-enyl]imidazolidine.

Molecular Properties

Compound Name2-[3-(azidomethyl)pent-3-enyl]imidazolidine
PubChem CID73450254
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-[3-(azidomethyl)pent-3-enyl]imidazolidine
SMILESCC=C(CCC1NCCN1)CN=[N+]=[N-]
InChIInChI=1S/C9H17N5/c1-2-8(7-13-14-10)3-4-9-11-5-6-12-9/h2,9,11-12H,3-7H2,1H3
InChIKeyNZLGWLVZYFRGOR-UHFFFAOYSA-N
XLogP1.54
TPSA72.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(azidomethyl)pent-3-enyl]imidazolidine?
The IUPAC name of 2-[3-(azidomethyl)pent-3-enyl]imidazolidine (CID 73450254) is 2-[3-(azidomethyl)pent-3-enyl]imidazolidine.
What is the SMILES notation for 2-[3-(azidomethyl)pent-3-enyl]imidazolidine?
The canonical SMILES for 2-[3-(azidomethyl)pent-3-enyl]imidazolidine is CC=C(CCC1NCCN1)CN=[N+]=[N-].
What is the InChIKey of 2-[3-(azidomethyl)pent-3-enyl]imidazolidine?
The InChIKey is NZLGWLVZYFRGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-2-8(7-13-14-10)3-4-9-11-5-6-12-9/h2,9,11-12H,3-7H2,1H3.
What are the key properties of 2-[3-(azidomethyl)pent-3-enyl]imidazolidine?
2-[3-(azidomethyl)pent-3-enyl]imidazolidine has a molecular weight of 195.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azidomethyl)pent-3-enyl]imidazolidine is sourced from PubChem (CID 73450254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).