(1-azidocyclopropyl)benzene

C9H9N3 — CID 12523684

IUPAC(1-azidocyclopropyl)benzene
SMILES[N-]=[N+]=NC1(c2ccccc2)CC1
InChIInChI=1S/C9H9N3/c10-12-11-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyNIMIJISAIVNDTM-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.99
Rot. Bonds2

About (1-azidocyclopropyl)benzene

(1-azidocyclopropyl)benzene (PubChem CID 12523684) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (1-azidocyclopropyl)benzene.

Molecular Properties

Compound Name(1-azidocyclopropyl)benzene
PubChem CID12523684
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name(1-azidocyclopropyl)benzene
SMILES[N-]=[N+]=NC1(c2ccccc2)CC1
InChIInChI=1S/C9H9N3/c10-12-11-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyNIMIJISAIVNDTM-UHFFFAOYSA-N
XLogP2.99
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.99
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'}

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Frequently Asked Questions

What is the IUPAC name of (1-azidocyclopropyl)benzene?
The IUPAC name of (1-azidocyclopropyl)benzene (CID 12523684) is (1-azidocyclopropyl)benzene.
What is the SMILES notation for (1-azidocyclopropyl)benzene?
The canonical SMILES for (1-azidocyclopropyl)benzene is [N-]=[N+]=NC1(c2ccccc2)CC1.
What is the InChIKey of (1-azidocyclopropyl)benzene?
The InChIKey is NIMIJISAIVNDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-12-11-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of (1-azidocyclopropyl)benzene?
(1-azidocyclopropyl)benzene has a molecular weight of 159.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-azidocyclopropyl)benzene is sourced from PubChem (CID 12523684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).