2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

C12H22N2O2 — CID 46902924

IUPAC2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCCCN1C[C@H](C)[C@@H](CC(=O)NC)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-5-6-14-8-9(2)10(12(14)16)7-11(15)13-3/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyPUBNFOQXJBVEAW-VHSXEESVSA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds5

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

2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 46902924) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID46902924
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCCCN1C[C@H](C)[C@@H](CC(=O)NC)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-5-6-14-8-9(2)10(12(14)16)7-11(15)13-3/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyPUBNFOQXJBVEAW-VHSXEESVSA-N
XLogP1.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (CID 46902924) is 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is CCCCN1C[C@H](C)[C@@H](CC(=O)NC)C1=O.
What is the InChIKey of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is PUBNFOQXJBVEAW-VHSXEESVSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-6-14-8-9(2)10(12(14)16)7-11(15)13-3/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m0/s1.
What are the key properties of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 226.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 46902924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).