1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one

C8H14N2O2 — CID 105434480

IUPAC1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one
SMILESCC(=O)CN1C(=O)CC(C)N1C
InChIInChI=1S/C8H14N2O2/c1-6-4-8(12)10(9(6)3)5-7(2)11/h6H,4-5H2,1-3H3
InChIKeyPOQUUJQNLGPVFZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.04
Rot. Bonds2

About 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one

1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one (PubChem CID 105434480) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one
PubChem CID105434480
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one
SMILESCC(=O)CN1C(=O)CC(C)N1C
InChIInChI=1S/C8H14N2O2/c1-6-4-8(12)10(9(6)3)5-7(2)11/h6H,4-5H2,1-3H3
InChIKeyPOQUUJQNLGPVFZ-UHFFFAOYSA-N
XLogP0.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one?
The IUPAC name of 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one (CID 105434480) is 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one.
What is the SMILES notation for 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one?
The canonical SMILES for 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one is CC(=O)CN1C(=O)CC(C)N1C.
What is the InChIKey of 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one?
The InChIKey is POQUUJQNLGPVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-4-8(12)10(9(6)3)5-7(2)11/h6H,4-5H2,1-3H3.
What are the key properties of 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one?
1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(2-oxopropyl)pyrazolidin-3-one is sourced from PubChem (CID 105434480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).