(1E)-3-oxocyclodecene-1-carbonyl azide

C11H15N3O2 — CID 12641964

IUPAC(1E)-3-oxocyclodecene-1-carbonyl azide
SMILES[N-]=[N+]=NC(=O)/C1=C/C(=O)CCCCCCC1
InChIInChI=1S/C11H15N3O2/c12-14-13-11(16)9-6-4-2-1-3-5-7-10(15)8-9/h8H,1-7H2/b9-8+
InChIKeyOYRYCVCJGNXDTD-CMDGGOBGSA-N
MW221.26 g/mol
LogP3.06
Rot. Bonds1

About (1E)-3-oxocyclodecene-1-carbonyl azide

(1E)-3-oxocyclodecene-1-carbonyl azide (PubChem CID 12641964) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (1E)-3-oxocyclodecene-1-carbonyl azide.

Molecular Properties

Compound Name(1E)-3-oxocyclodecene-1-carbonyl azide
PubChem CID12641964
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(1E)-3-oxocyclodecene-1-carbonyl azide
SMILES[N-]=[N+]=NC(=O)/C1=C/C(=O)CCCCCCC1
InChIInChI=1S/C11H15N3O2/c12-14-13-11(16)9-6-4-2-1-3-5-7-10(15)8-9/h8H,1-7H2/b9-8+
InChIKeyOYRYCVCJGNXDTD-CMDGGOBGSA-N
XLogP3.06
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1E)-3-oxocyclodecene-1-carbonyl azide?
The IUPAC name of (1E)-3-oxocyclodecene-1-carbonyl azide (CID 12641964) is (1E)-3-oxocyclodecene-1-carbonyl azide.
What is the SMILES notation for (1E)-3-oxocyclodecene-1-carbonyl azide?
The canonical SMILES for (1E)-3-oxocyclodecene-1-carbonyl azide is [N-]=[N+]=NC(=O)/C1=C/C(=O)CCCCCCC1.
What is the InChIKey of (1E)-3-oxocyclodecene-1-carbonyl azide?
The InChIKey is OYRYCVCJGNXDTD-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-14-13-11(16)9-6-4-2-1-3-5-7-10(15)8-9/h8H,1-7H2/b9-8+.
What are the key properties of (1E)-3-oxocyclodecene-1-carbonyl azide?
(1E)-3-oxocyclodecene-1-carbonyl azide has a molecular weight of 221.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-oxocyclodecene-1-carbonyl azide is sourced from PubChem (CID 12641964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).