[1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate

C18H31NO3 — CID 155426817

IUPAC[1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate
SMILESCCC(CC1CC1(CC(C)(C)C)OC(C)=O)N1CCCC1=O
InChIInChI=1S/C18H31NO3/c1-6-15(19-9-7-8-16(19)21)10-14-11-18(14,22-13(2)20)12-17(3,4)5/h14-15H,6-12H2,1-5H3
InChIKeyVLHNVLQLGKEINR-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.54
Rot. Bonds6

About [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate

[1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate (PubChem CID 155426817) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate.

Molecular Properties

Compound Name[1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate
PubChem CID155426817
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name[1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate
SMILESCCC(CC1CC1(CC(C)(C)C)OC(C)=O)N1CCCC1=O
InChIInChI=1S/C18H31NO3/c1-6-15(19-9-7-8-16(19)21)10-14-11-18(14,22-13(2)20)12-17(3,4)5/h14-15H,6-12H2,1-5H3
InChIKeyVLHNVLQLGKEINR-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,5-dimethylhexan-3-yl)pyrrolidin-2-one;ethane
CID 142297493
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
CID 173130930
1-decan-3-ylpyrrolidin-2-one
CID 175032444
2-[2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyl-trimethylazanium
CID 58611503
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
2-[2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyl-ethyl-dimethylazanium;methane
CID 158708952
N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]-2-phenoxyacetamide
CID 52869830
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate?
The IUPAC name of [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate (CID 155426817) is [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate.
What is the SMILES notation for [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate?
The canonical SMILES for [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate is CCC(CC1CC1(CC(C)(C)C)OC(C)=O)N1CCCC1=O.
What is the InChIKey of [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate?
The InChIKey is VLHNVLQLGKEINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-6-15(19-9-7-8-16(19)21)10-14-11-18(14,22-13(2)20)12-17(3,4)5/h14-15H,6-12H2,1-5H3.
What are the key properties of [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate?
[1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate has a molecular weight of 309.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)butyl]cyclopropyl] acetate is sourced from PubChem (CID 155426817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).