N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide

C13H24N2O2 — CID 108958414

IUPACN-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)14-10(16)13(4,5)11(17)15-8-6-7-9-15/h6-9H2,1-5H3,(H,14,16)
InChIKeyDEZZSZYNQXKIMT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds2

About N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide

N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 108958414) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID108958414
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)14-10(16)13(4,5)11(17)15-8-6-7-9-15/h6-9H2,1-5H3,(H,14,16)
InChIKeyDEZZSZYNQXKIMT-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide (CID 108958414) is N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide is CC(C)(C)NC(=O)C(C)(C)C(=O)N1CCCC1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is DEZZSZYNQXKIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)14-10(16)13(4,5)11(17)15-8-6-7-9-15/h6-9H2,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108958414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).