1-(1-azidocyclopropyl)-4-chlorobenzene;methane

C10H12ClN3 — CID 167664164

IUPAC1-(1-azidocyclopropyl)-4-chlorobenzene;methane
SMILESC.[N-]=[N+]=NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C9H8ClN3.CH4/c10-8-3-1-7(2-4-8)9(5-6-9)12-13-11;/h1-4H,5-6H2;1H4
InChIKeySJTRRGOLZODQAM-UHFFFAOYSA-N
MW209.68 g/mol
LogP4.28
Rot. Bonds2

About 1-(1-azidocyclopropyl)-4-chlorobenzene;methane

1-(1-azidocyclopropyl)-4-chlorobenzene;methane (PubChem CID 167664164) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(1-azidocyclopropyl)-4-chlorobenzene;methane.

Molecular Properties

Compound Name1-(1-azidocyclopropyl)-4-chlorobenzene;methane
PubChem CID167664164
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name1-(1-azidocyclopropyl)-4-chlorobenzene;methane
SMILESC.[N-]=[N+]=NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C9H8ClN3.CH4/c10-8-3-1-7(2-4-8)9(5-6-9)12-13-11;/h1-4H,5-6H2;1H4
InChIKeySJTRRGOLZODQAM-UHFFFAOYSA-N
XLogP4.28
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 54.28
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 1-(1-azidocyclopropyl)-4-chlorobenzene;methane 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 1-(1-azidocyclopropyl)-4-chlorobenzene;methane?
The IUPAC name of 1-(1-azidocyclopropyl)-4-chlorobenzene;methane (CID 167664164) is 1-(1-azidocyclopropyl)-4-chlorobenzene;methane.
What is the SMILES notation for 1-(1-azidocyclopropyl)-4-chlorobenzene;methane?
The canonical SMILES for 1-(1-azidocyclopropyl)-4-chlorobenzene;methane is C.[N-]=[N+]=NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(1-azidocyclopropyl)-4-chlorobenzene;methane?
The InChIKey is SJTRRGOLZODQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3.CH4/c10-8-3-1-7(2-4-8)9(5-6-9)12-13-11;/h1-4H,5-6H2;1H4.
What are the key properties of 1-(1-azidocyclopropyl)-4-chlorobenzene;methane?
1-(1-azidocyclopropyl)-4-chlorobenzene;methane has a molecular weight of 209.68 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azidocyclopropyl)-4-chlorobenzene;methane is sourced from PubChem (CID 167664164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).