2-azidoprop-2-enal

C3H3N3O — CID 149436796

IUPAC2-azidoprop-2-enal
SMILESC=C(C=O)N=[N+]=[N-]
InChIInChI=1S/C3H3N3O/c1-3(2-7)5-6-4/h2H,1H2
InChIKeyPGYCORCYVIHXOO-UHFFFAOYSA-N
MW97.08 g/mol
LogP1.01
Rot. Bonds2

About 2-azidoprop-2-enal

2-azidoprop-2-enal (PubChem CID 149436796) has the molecular formula C3H3N3O and a molecular weight of 97.08 g/mol. Its IUPAC name is 2-azidoprop-2-enal.

Molecular Properties

Compound Name2-azidoprop-2-enal
PubChem CID149436796
Molecular FormulaC3H3N3O
Molecular Weight97.08 g/mol
Exact Mass97.03
IUPAC Name2-azidoprop-2-enal
SMILESC=C(C=O)N=[N+]=[N-]
InChIInChI=1S/C3H3N3O/c1-3(2-7)5-6-4/h2H,1H2
InChIKeyPGYCORCYVIHXOO-UHFFFAOYSA-N
XLogP1.01
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.08
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azidoprop-2-enal?
The IUPAC name of 2-azidoprop-2-enal (CID 149436796) is 2-azidoprop-2-enal.
What is the SMILES notation for 2-azidoprop-2-enal?
The canonical SMILES for 2-azidoprop-2-enal is C=C(C=O)N=[N+]=[N-].
What is the InChIKey of 2-azidoprop-2-enal?
The InChIKey is PGYCORCYVIHXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O/c1-3(2-7)5-6-4/h2H,1H2.
What are the key properties of 2-azidoprop-2-enal?
2-azidoprop-2-enal has a molecular weight of 97.08 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoprop-2-enal is sourced from PubChem (CID 149436796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).