2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone

C7H8N2O2 — CID 71333043

IUPAC2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone
SMILES[N-]=[N+]=CC(=O)C1CCC=CO1
InChIInChI=1S/C7H8N2O2/c8-9-5-6(10)7-3-1-2-4-11-7/h2,4-5,7H,1,3H2
InChIKeyFOKMYBKROUJVRJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.55
Rot. Bonds2

About 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone

2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone (PubChem CID 71333043) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone.

Molecular Properties

Compound Name2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone
PubChem CID71333043
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone
SMILES[N-]=[N+]=CC(=O)C1CCC=CO1
InChIInChI=1S/C7H8N2O2/c8-9-5-6(10)7-3-1-2-4-11-7/h2,4-5,7H,1,3H2
InChIKeyFOKMYBKROUJVRJ-UHFFFAOYSA-N
XLogP0.55
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.55
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-(3,4-dihydro-2H-pyran-2-yl)ethanone?
The IUPAC name of 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone (CID 71333043) is 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone.
What is the SMILES notation for 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone?
The canonical SMILES for 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone is [N-]=[N+]=CC(=O)C1CCC=CO1.
What is the InChIKey of 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone?
The InChIKey is FOKMYBKROUJVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-9-5-6(10)7-3-1-2-4-11-7/h2,4-5,7H,1,3H2.
What are the key properties of 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone?
2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone has a molecular weight of 152.15 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-(3,4-dihydro-2H-pyran-2-yl)ethanone is sourced from PubChem (CID 71333043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).