2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one

C19H33N3O — CID 164635508

IUPAC2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one
SMILESCCC(C)(C)C(=O)N1CCC[C@@H]1CCc1ncc(C)n1C(C)C
InChIInChI=1S/C19H33N3O/c1-7-19(5,6)18(23)21-12-8-9-16(21)10-11-17-20-13-15(4)22(17)14(2)3/h13-14,16H,7-12H2,1-6H3/t16-/m1/s1
InChIKeyHPQFWRXCRWOSFC-MRXNPFEDSA-N
MW319.49 g/mol
LogP4.13
Rot. Bonds6

About 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one

2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 164635508) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one
PubChem CID164635508
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one
SMILESCCC(C)(C)C(=O)N1CCC[C@@H]1CCc1ncc(C)n1C(C)C
InChIInChI=1S/C19H33N3O/c1-7-19(5,6)18(23)21-12-8-9-16(21)10-11-17-20-13-15(4)22(17)14(2)3/h13-14,16H,7-12H2,1-6H3/t16-/m1/s1
InChIKeyHPQFWRXCRWOSFC-MRXNPFEDSA-N
XLogP4.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one (CID 164635508) is 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one is CCC(C)(C)C(=O)N1CCC[C@@H]1CCc1ncc(C)n1C(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is HPQFWRXCRWOSFC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H33N3O/c1-7-19(5,6)18(23)21-12-8-9-16(21)10-11-17-20-13-15(4)22(17)14(2)3/h13-14,16H,7-12H2,1-6H3/t16-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one?
2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 319.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 164635508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).