(E)-but-2-enoyl azide

C4H5N3O — CID 23443326

IUPAC(E)-but-2-enoyl azide
SMILESC/C=C/C(=O)N=[N+]=[N-]
InChIInChI=1S/C4H5N3O/c1-2-3-4(8)6-7-5/h2-3H,1H3/b3-2+
InChIKeyNXUSZMKDZBGZRT-NSCUHMNNSA-N
MW111.10 g/mol
LogP1.40
Rot. Bonds1

About (E)-but-2-enoyl azide

(E)-but-2-enoyl azide (PubChem CID 23443326) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is (E)-but-2-enoyl azide.

Molecular Properties

Compound Name(E)-but-2-enoyl azide
PubChem CID23443326
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name(E)-but-2-enoyl azide
SMILESC/C=C/C(=O)N=[N+]=[N-]
InChIInChI=1S/C4H5N3O/c1-2-3-4(8)6-7-5/h2-3H,1H3/b3-2+
InChIKeyNXUSZMKDZBGZRT-NSCUHMNNSA-N
XLogP1.40
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 51.40
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enoyl azide?
The IUPAC name of (E)-but-2-enoyl azide (CID 23443326) is (E)-but-2-enoyl azide.
What is the SMILES notation for (E)-but-2-enoyl azide?
The canonical SMILES for (E)-but-2-enoyl azide is C/C=C/C(=O)N=[N+]=[N-].
What is the InChIKey of (E)-but-2-enoyl azide?
The InChIKey is NXUSZMKDZBGZRT-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H5N3O/c1-2-3-4(8)6-7-5/h2-3H,1H3/b3-2+.
What are the key properties of (E)-but-2-enoyl azide?
(E)-but-2-enoyl azide has a molecular weight of 111.10 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enoyl azide is sourced from PubChem (CID 23443326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).