3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide

C11H18N2O3 — CID 171818129

IUPAC3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide
SMILESCC1(C)CC(=O)N(CCC(=O)NCC=O)C1
InChIInChI=1S/C11H18N2O3/c1-11(2)7-10(16)13(8-11)5-3-9(15)12-4-6-14/h6H,3-5,7-8H2,1-2H3,(H,12,15)
InChIKeyVSTAEPXMJANBLO-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds5

About 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide

3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide (PubChem CID 171818129) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide
PubChem CID171818129
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide
SMILESCC1(C)CC(=O)N(CCC(=O)NCC=O)C1
InChIInChI=1S/C11H18N2O3/c1-11(2)7-10(16)13(8-11)5-3-9(15)12-4-6-14/h6H,3-5,7-8H2,1-2H3,(H,12,15)
InChIKeyVSTAEPXMJANBLO-UHFFFAOYSA-N
XLogP-0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,3-Dimethylbutylamino)propyl]pyrrolidin-2-one
CID 21027109
2-[3-(2-Oxopyrrolidin-1-yl)propylamino]acetaldehyde
CID 53831200
3,3-Dimethyl-4-[(2-pyrrolidin-1-ylacetyl)amino]butanamide
CID 57006510
1-[3-(2,2-Dimethylbutylamino)propyl]pyrrolidin-2-one
CID 71094906
1-[2-(Ethylamino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 71190813
1-Oxaldehydoylpyrrolidine-3-carboxamide
CID 118038578
N-(3,3-dimethylbutyl)-3-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 129018578
N-formyl-N,1-dimethyl-3-(methylamino)pyrrolidine-3-carboxamide
CID 139306299
Ethane;2-[3-(2-oxopyrrolidin-1-yl)propylamino]acetaldehyde
CID 141895747
N-[1-(3,3-dimethylbutanoyl)-4-oxopyrrolidin-3-yl]formamide
CID 142151070
4-[Bis[2-(methylamino)ethyl]amino]-3,3-dimethylpyrrolidin-2-one;bis(2,2-dimethylpropanal);ethane
CID 142272425
1-[3-(Methylamino)propyl]pyrrolidin-2-one;2-methylpropanal
CID 143147773

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide?
The IUPAC name of 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide (CID 171818129) is 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide is CC1(C)CC(=O)N(CCC(=O)NCC=O)C1.
What is the InChIKey of 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide?
The InChIKey is VSTAEPXMJANBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2)7-10(16)13(8-11)5-3-9(15)12-4-6-14/h6H,3-5,7-8H2,1-2H3,(H,12,15).
What are the key properties of 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide?
3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-N-(2-oxoethyl)propanamide is sourced from PubChem (CID 171818129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).