2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

C13H24N2O2 — CID 46903033

IUPAC2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCCCN1CC(C)(C)[C@H](CC(=O)NC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-6-7-15-9-13(2,3)10(12(15)17)8-11(16)14-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyUHBBRHGTHGWATL-SNVBAGLBSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds5

About 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 46903033) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID46903033
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCCCN1CC(C)(C)[C@H](CC(=O)NC)C1=O
InChIInChI=1S/C13H24N2O2/c1-5-6-7-15-9-13(2,3)10(12(15)17)8-11(16)14-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyUHBBRHGTHGWATL-SNVBAGLBSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (CID 46903033) is 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is CCCCN1CC(C)(C)[C@H](CC(=O)NC)C1=O.
What is the InChIKey of 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is UHBBRHGTHGWATL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-5-6-7-15-9-13(2,3)10(12(15)17)8-11(16)14-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 46903033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).