3-methyl-3-pyrazol-1-yloxolan-2-one

C8H10N2O2 — CID 175726439

IUPAC3-methyl-3-pyrazol-1-yloxolan-2-one
SMILESCC1(n2cccn2)CCOC1=O
InChIInChI=1S/C8H10N2O2/c1-8(3-6-12-7(8)11)10-5-2-4-9-10/h2,4-5H,3,6H2,1H3
InChIKeyNGPGTRIJIFABOS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.55
Rot. Bonds1

About 3-methyl-3-pyrazol-1-yloxolan-2-one

3-methyl-3-pyrazol-1-yloxolan-2-one (PubChem CID 175726439) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-methyl-3-pyrazol-1-yloxolan-2-one.

Molecular Properties

Compound Name3-methyl-3-pyrazol-1-yloxolan-2-one
PubChem CID175726439
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-methyl-3-pyrazol-1-yloxolan-2-one
SMILESCC1(n2cccn2)CCOC1=O
InChIInChI=1S/C8H10N2O2/c1-8(3-6-12-7(8)11)10-5-2-4-9-10/h2,4-5H,3,6H2,1H3
InChIKeyNGPGTRIJIFABOS-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyrazol-1-yloxolan-2-one?
The IUPAC name of 3-methyl-3-pyrazol-1-yloxolan-2-one (CID 175726439) is 3-methyl-3-pyrazol-1-yloxolan-2-one.
What is the SMILES notation for 3-methyl-3-pyrazol-1-yloxolan-2-one?
The canonical SMILES for 3-methyl-3-pyrazol-1-yloxolan-2-one is CC1(n2cccn2)CCOC1=O.
What is the InChIKey of 3-methyl-3-pyrazol-1-yloxolan-2-one?
The InChIKey is NGPGTRIJIFABOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(3-6-12-7(8)11)10-5-2-4-9-10/h2,4-5H,3,6H2,1H3.
What are the key properties of 3-methyl-3-pyrazol-1-yloxolan-2-one?
3-methyl-3-pyrazol-1-yloxolan-2-one has a molecular weight of 166.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrazol-1-yloxolan-2-one is sourced from PubChem (CID 175726439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).