(3-azidocyclobutyl) formate

C5H7N3O2 — CID 57097738

IUPAC(3-azidocyclobutyl) formate
SMILES[N-]=[N+]=NC1CC(OC=O)C1
InChIInChI=1S/C5H7N3O2/c6-8-7-4-1-5(2-4)10-3-9/h3-5H,1-2H2
InChIKeyAFRZPVCPUZJXPI-UHFFFAOYSA-N
MW141.13 g/mol
LogP1.00
Rot. Bonds3

About (3-azidocyclobutyl) formate

(3-azidocyclobutyl) formate (PubChem CID 57097738) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is (3-azidocyclobutyl) formate.

Molecular Properties

Compound Name(3-azidocyclobutyl) formate
PubChem CID57097738
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name(3-azidocyclobutyl) formate
SMILES[N-]=[N+]=NC1CC(OC=O)C1
InChIInChI=1S/C5H7N3O2/c6-8-7-4-1-5(2-4)10-3-9/h3-5H,1-2H2
InChIKeyAFRZPVCPUZJXPI-UHFFFAOYSA-N
XLogP1.00
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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

cyclononyl formate
CID 87065625
azidocycloheptane
CID 14917746
3-amino-6-azidoazepane-2-carbaldehyde
CID 174493931
[(3S)-oxolan-3-yl] formate
CID 22868233
cis-(3S,5R)-3,5-diazidocyclohexan-1-one
CID 118066035
(3S,5R)-3-azido-5-methoxy-1-methylpiperidine
CID 89090851
(2S,3aS,5S,6aS)-2,5-diazido-1-deuterio-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 175710556
[(3S,5S,6R)-5-azido-4-formyloxy-3,6-dihydroxyoxan-2-yl]methyl formate
CID 90908353
(4-chlorocyclohexyl) formate
CID 21249018
(3-ethoxycyclopentyl) formate
CID 87823769
lithium 2-(3-azidocyclobutyl)cyclopropane-1-carboxylate
CID 154814336
[3-(2-hydroxyethoxy)cyclobutyl] formate
CID 170344966

Frequently Asked Questions

What is the IUPAC name of (3-azidocyclobutyl) formate?
The IUPAC name of (3-azidocyclobutyl) formate (CID 57097738) is (3-azidocyclobutyl) formate.
What is the SMILES notation for (3-azidocyclobutyl) formate?
The canonical SMILES for (3-azidocyclobutyl) formate is [N-]=[N+]=NC1CC(OC=O)C1.
What is the InChIKey of (3-azidocyclobutyl) formate?
The InChIKey is AFRZPVCPUZJXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-8-7-4-1-5(2-4)10-3-9/h3-5H,1-2H2.
What are the key properties of (3-azidocyclobutyl) formate?
(3-azidocyclobutyl) formate has a molecular weight of 141.13 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azidocyclobutyl) formate is sourced from PubChem (CID 57097738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).