5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one

C15H29N3O — CID 83252393

IUPAC5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(CCN2CCCC2)C1=O
InChIInChI=1S/C15H29N3O/c1-5-15(4)14(19)18(13(16-15)12(2)3)11-10-17-8-6-7-9-17/h12-13,16H,5-11H2,1-4H3
InChIKeyCPLJCEOSIWVTRV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.66
Rot. Bonds5

About 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one

5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one (PubChem CID 83252393) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
PubChem CID83252393
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(CCN2CCCC2)C1=O
InChIInChI=1S/C15H29N3O/c1-5-15(4)14(19)18(13(16-15)12(2)3)11-10-17-8-6-7-9-17/h12-13,16H,5-11H2,1-4H3
InChIKeyCPLJCEOSIWVTRV-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one (CID 83252393) is 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one is CCC1(C)NC(C(C)C)N(CCN2CCCC2)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
The InChIKey is CPLJCEOSIWVTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-15(4)14(19)18(13(16-15)12(2)3)11-10-17-8-6-7-9-17/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one?
5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one has a molecular weight of 267.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one is sourced from PubChem (CID 83252393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).