1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one

C10H17NO2 — CID 104511611

IUPAC1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CC2CO2)C1
InChIInChI=1S/C10H17NO2/c1-7(2)8-3-10(12)11(4-8)5-9-6-13-9/h7-9H,3-6H2,1-2H3
InChIKeyYTEIMZPBAVGYRG-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.89
Rot. Bonds3

About 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one

1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511611) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511611
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CC2CO2)C1
InChIInChI=1S/C10H17NO2/c1-7(2)8-3-10(12)11(4-8)5-9-6-13-9/h7-9H,3-6H2,1-2H3
InChIKeyYTEIMZPBAVGYRG-UHFFFAOYSA-N
XLogP0.89
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(morpholin-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104512049
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
1-(3-bromo-2,2-dimethylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511296
1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511458
1-[(E)-4-chlorobut-2-enyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511290
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511188
1-(2-aminoethyl)-4-propan-2-ylpyrrolidin-2-one;ethane;formaldehyde;molecular hydrogen
CID 171546139
(4S)-1-methyl-4-propan-2-ylpyrrolidin-2-one
CID 129101287

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one (CID 104511611) is 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(CC2CO2)C1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is YTEIMZPBAVGYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)8-3-10(12)11(4-8)5-9-6-13-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one?
1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).