2-diazo-1-morpholin-4-yl-2-phenylethanone

C12H13N3O2 — CID 166447065

IUPAC2-diazo-1-morpholin-4-yl-2-phenylethanone
SMILES[N-]=[N+]=C(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C12H13N3O2/c13-14-11(10-4-2-1-3-5-10)12(16)15-6-8-17-9-7-15/h1-5H,6-9H2
InChIKeyHYUUQJILEQQUGJ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.56
Rot. Bonds2

About 2-diazo-1-morpholin-4-yl-2-phenylethanone

2-diazo-1-morpholin-4-yl-2-phenylethanone (PubChem CID 166447065) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-diazo-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name2-diazo-1-morpholin-4-yl-2-phenylethanone
PubChem CID166447065
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-diazo-1-morpholin-4-yl-2-phenylethanone
SMILES[N-]=[N+]=C(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C12H13N3O2/c13-14-11(10-4-2-1-3-5-10)12(16)15-6-8-17-9-7-15/h1-5H,6-9H2
InChIKeyHYUUQJILEQQUGJ-UHFFFAOYSA-N
XLogP0.56
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_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 2-diazo-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 2-diazo-1-morpholin-4-yl-2-phenylethanone (CID 166447065) is 2-diazo-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 2-diazo-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 2-diazo-1-morpholin-4-yl-2-phenylethanone is [N-]=[N+]=C(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-diazo-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is HYUUQJILEQQUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-14-11(10-4-2-1-3-5-10)12(16)15-6-8-17-9-7-15/h1-5H,6-9H2.
What are the key properties of 2-diazo-1-morpholin-4-yl-2-phenylethanone?
2-diazo-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 231.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 166447065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).