2-(2-azidoethyl)-3-phenylindolizine

C16H14N4 — CID 118607548

IUPAC2-(2-azidoethyl)-3-phenylindolizine
SMILES[N-]=[N+]=NCCc1cc2ccccn2c1-c1ccccc1
InChIInChI=1S/C16H14N4/c17-19-18-10-9-14-12-15-8-4-5-11-20(15)16(14)13-6-2-1-3-7-13/h1-8,11-12H,9-10H2
InChIKeyRMWAILGRXFUGPA-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.46
Rot. Bonds4

About 2-(2-azidoethyl)-3-phenylindolizine

2-(2-azidoethyl)-3-phenylindolizine (PubChem CID 118607548) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(2-azidoethyl)-3-phenylindolizine.

Molecular Properties

Compound Name2-(2-azidoethyl)-3-phenylindolizine
PubChem CID118607548
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-(2-azidoethyl)-3-phenylindolizine
SMILES[N-]=[N+]=NCCc1cc2ccccn2c1-c1ccccc1
InChIInChI=1S/C16H14N4/c17-19-18-10-9-14-12-15-8-4-5-11-20(15)16(14)13-6-2-1-3-7-13/h1-8,11-12H,9-10H2
InChIKeyRMWAILGRXFUGPA-UHFFFAOYSA-N
XLogP4.46
TPSA53.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(azidomethyl)-3-(4-fluorophenyl)indolizine
CID 118607547
2-[(4-fluorophenyl)methyl]-3-phenylindolizine
CID 141353063
2-ethyl-3-pyridin-4-ylindolizine
CID 118607562
[3-(3-fluorophenyl)indolizin-2-yl]methanol
CID 118572939
2-ethyl-3-pyridin-3-ylindolizine
CID 118607557
5-(2-azidoethyl)-2,6-diphenylpyridazin-3-one
CID 118949747
CID 167681382
CID 167681382
1-(2-azidoethyl)-4-chloro-2-fluorobenzene
CID 151155603
(2-phenylindolizin-3-yl)methanamine
CID 45496730
1-(2-azidoethyl)-2-chloro-4-fluorobenzene
CID 151122576
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
1-(3-azidopropyl)pyridin-2-one
CID 61396635

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-3-phenylindolizine?
The IUPAC name of 2-(2-azidoethyl)-3-phenylindolizine (CID 118607548) is 2-(2-azidoethyl)-3-phenylindolizine.
What is the SMILES notation for 2-(2-azidoethyl)-3-phenylindolizine?
The canonical SMILES for 2-(2-azidoethyl)-3-phenylindolizine is [N-]=[N+]=NCCc1cc2ccccn2c1-c1ccccc1.
What is the InChIKey of 2-(2-azidoethyl)-3-phenylindolizine?
The InChIKey is RMWAILGRXFUGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-19-18-10-9-14-12-15-8-4-5-11-20(15)16(14)13-6-2-1-3-7-13/h1-8,11-12H,9-10H2.
What are the key properties of 2-(2-azidoethyl)-3-phenylindolizine?
2-(2-azidoethyl)-3-phenylindolizine has a molecular weight of 262.32 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-3-phenylindolizine is sourced from PubChem (CID 118607548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).