1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one

C9H12N2O2 — CID 84657303

IUPAC1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one
SMILESCC(=O)Cc1cnn2c1OCCC2
InChIInChI=1S/C9H12N2O2/c1-7(12)5-8-6-10-11-3-2-4-13-9(8)11/h6H,2-5H2,1H3
InChIKeySGUAFOTURDUWBD-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.80
Rot. Bonds2

About 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one

1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one (PubChem CID 84657303) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one
PubChem CID84657303
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one
SMILESCC(=O)Cc1cnn2c1OCCC2
InChIInChI=1S/C9H12N2O2/c1-7(12)5-8-6-10-11-3-2-4-13-9(8)11/h6H,2-5H2,1H3
InChIKeySGUAFOTURDUWBD-UHFFFAOYSA-N
XLogP0.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one?
The IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one (CID 84657303) is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one is CC(=O)Cc1cnn2c1OCCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one?
The InChIKey is SGUAFOTURDUWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(12)5-8-6-10-11-3-2-4-13-9(8)11/h6H,2-5H2,1H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one?
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one is sourced from PubChem (CID 84657303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).