3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde

C8H10N2O2 — CID 151371142

IUPAC3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde
SMILESCc1c(C=O)nn2c1OCCC2
InChIInChI=1S/C8H10N2O2/c1-6-7(5-11)9-10-3-2-4-12-8(6)10/h5H,2-4H2,1H3
InChIKeyOQLVPLKXGREEJZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.79
Rot. Bonds1

About 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde

3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde (PubChem CID 151371142) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde
PubChem CID151371142
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde
SMILESCc1c(C=O)nn2c1OCCC2
InChIInChI=1S/C8H10N2O2/c1-6-7(5-11)9-10-3-2-4-12-8(6)10/h5H,2-4H2,1H3
InChIKeyOQLVPLKXGREEJZ-UHFFFAOYSA-N
XLogP0.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.79
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 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde?
The IUPAC name of 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde (CID 151371142) is 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde.
What is the SMILES notation for 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde?
The canonical SMILES for 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde is Cc1c(C=O)nn2c1OCCC2.
What is the InChIKey of 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde?
The InChIKey is OQLVPLKXGREEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-7(5-11)9-10-3-2-4-12-8(6)10/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde?
3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde is sourced from PubChem (CID 151371142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).