5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one

C8H14N2O — CID 164646993

IUPAC5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one
SMILESCC1CC1C1(C)CC(=O)NN1
InChIInChI=1S/C8H14N2O/c1-5-3-6(5)8(2)4-7(11)9-10-8/h5-6,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyLCCQJVWHSLGCLQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.43
Rot. Bonds1

About 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one

5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one (PubChem CID 164646993) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one
PubChem CID164646993
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one
SMILESCC1CC1C1(C)CC(=O)NN1
InChIInChI=1S/C8H14N2O/c1-5-3-6(5)8(2)4-7(11)9-10-8/h5-6,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyLCCQJVWHSLGCLQ-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one?
The IUPAC name of 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one (CID 164646993) is 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one.
What is the SMILES notation for 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one?
The canonical SMILES for 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one is CC1CC1C1(C)CC(=O)NN1.
What is the InChIKey of 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one?
The InChIKey is LCCQJVWHSLGCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-3-6(5)8(2)4-7(11)9-10-8/h5-6,10H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one?
5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one has a molecular weight of 154.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(2-methylcyclopropyl)pyrazolidin-3-one is sourced from PubChem (CID 164646993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).