6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde

C7H8N2O2 — CID 84649596

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
SMILESO=Cc1cnn2c1OCCC2
InChIInChI=1S/C7H8N2O2/c10-5-6-4-8-9-2-1-3-11-7(6)9/h4-5H,1-3H2
InChIKeyUCVIPYQHTWRTBR-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.48
Rot. Bonds1

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde (PubChem CID 84649596) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
PubChem CID84649596
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
SMILESO=Cc1cnn2c1OCCC2
InChIInChI=1S/C7H8N2O2/c10-5-6-4-8-9-2-1-3-11-7(6)9/h4-5H,1-3H2
InChIKeyUCVIPYQHTWRTBR-UHFFFAOYSA-N
XLogP0.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde (CID 84649596) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde is O=Cc1cnn2c1OCCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde?
The InChIKey is UCVIPYQHTWRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-5-6-4-8-9-2-1-3-11-7(6)9/h4-5H,1-3H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde has a molecular weight of 152.15 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde is sourced from PubChem (CID 84649596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).