2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide

C9H17N3O2 — CID 130979763

IUPAC2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
SMILESCN1CC(NC(=O)C(C)(C)C)C(=O)N1
InChIInChI=1S/C9H17N3O2/c1-9(2,3)8(14)10-6-5-12(4)11-7(6)13/h6H,5H2,1-4H3,(H,10,14)(H,11,13)
InChIKeyNKDLINKHRFPTLS-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.51
Rot. Bonds1

About 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide

2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide (PubChem CID 130979763) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
PubChem CID130979763
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
SMILESCN1CC(NC(=O)C(C)(C)C)C(=O)N1
InChIInChI=1S/C9H17N3O2/c1-9(2,3)8(14)10-6-5-12(4)11-7(6)13/h6H,5H2,1-4H3,(H,10,14)(H,11,13)
InChIKeyNKDLINKHRFPTLS-UHFFFAOYSA-N
XLogP-0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide (CID 130979763) is 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide is CN1CC(NC(=O)C(C)(C)C)C(=O)N1.
What is the InChIKey of 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide?
The InChIKey is NKDLINKHRFPTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,3)8(14)10-6-5-12(4)11-7(6)13/h6H,5H2,1-4H3,(H,10,14)(H,11,13).
What are the key properties of 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide?
2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide is sourced from PubChem (CID 130979763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).