[(1R)-1-azidoethyl]benzene

C8H9N3 — CID 10877270

IUPAC[(1R)-1-azidoethyl]benzene
SMILESC[C@@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C8H9N3/c1-7(10-11-9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1
InChIKeyKOFFFKMEMKRWMT-SSDOTTSWSA-N
MW147.18 g/mol
LogP3.06
Rot. Bonds2

About [(1R)-1-azidoethyl]benzene

[(1R)-1-azidoethyl]benzene (PubChem CID 10877270) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is [(1R)-1-azidoethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-azidoethyl]benzene
PubChem CID10877270
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name[(1R)-1-azidoethyl]benzene
SMILESC[C@@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C8H9N3/c1-7(10-11-9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1
InChIKeyKOFFFKMEMKRWMT-SSDOTTSWSA-N
XLogP3.06
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze [(1R)-1-azidoethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-azidoethyl]benzene?
The IUPAC name of [(1R)-1-azidoethyl]benzene (CID 10877270) is [(1R)-1-azidoethyl]benzene.
What is the SMILES notation for [(1R)-1-azidoethyl]benzene?
The canonical SMILES for [(1R)-1-azidoethyl]benzene is C[C@@H](N=[N+]=[N-])c1ccccc1.
What is the InChIKey of [(1R)-1-azidoethyl]benzene?
The InChIKey is KOFFFKMEMKRWMT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9N3/c1-7(10-11-9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1.
What are the key properties of [(1R)-1-azidoethyl]benzene?
[(1R)-1-azidoethyl]benzene has a molecular weight of 147.18 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-azidoethyl]benzene is sourced from PubChem (CID 10877270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).