1-azido-3-methylidenecyclobutane

C5H7N3 — CID 14967483

IUPAC1-azido-3-methylidenecyclobutane
SMILESC=C1CC(N=[N+]=[N-])C1
InChIInChI=1S/C5H7N3/c1-4-2-5(3-4)7-8-6/h5H,1-3H2
InChIKeyZGGGJBPAHDUEBV-UHFFFAOYSA-N
MW109.13 g/mol
LogP2.02
Rot. Bonds1

About 1-azido-3-methylidenecyclobutane

1-azido-3-methylidenecyclobutane (PubChem CID 14967483) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-azido-3-methylidenecyclobutane.

Molecular Properties

Compound Name1-azido-3-methylidenecyclobutane
PubChem CID14967483
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1-azido-3-methylidenecyclobutane
SMILESC=C1CC(N=[N+]=[N-])C1
InChIInChI=1S/C5H7N3/c1-4-2-5(3-4)7-8-6/h5H,1-3H2
InChIKeyZGGGJBPAHDUEBV-UHFFFAOYSA-N
XLogP2.02
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 52.02
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': 'isolated_alkene', '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-azido-3-methylidenecyclobutane?
The IUPAC name of 1-azido-3-methylidenecyclobutane (CID 14967483) is 1-azido-3-methylidenecyclobutane.
What is the SMILES notation for 1-azido-3-methylidenecyclobutane?
The canonical SMILES for 1-azido-3-methylidenecyclobutane is C=C1CC(N=[N+]=[N-])C1.
What is the InChIKey of 1-azido-3-methylidenecyclobutane?
The InChIKey is ZGGGJBPAHDUEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-4-2-5(3-4)7-8-6/h5H,1-3H2.
What are the key properties of 1-azido-3-methylidenecyclobutane?
1-azido-3-methylidenecyclobutane has a molecular weight of 109.13 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-methylidenecyclobutane is sourced from PubChem (CID 14967483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).