(5R)-5-tert-butylpyrrolidin-2-one

C8H15NO — CID 55299063

IUPAC(5R)-5-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)[C@H]1CCC(=O)N1
InChIInChI=1S/C8H15NO/c1-8(2,3)6-4-5-7(10)9-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKeyDOJXADPGSRMZCA-ZCFIWIBFSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds

About (5R)-5-tert-butylpyrrolidin-2-one

(5R)-5-tert-butylpyrrolidin-2-one (PubChem CID 55299063) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (5R)-5-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-tert-butylpyrrolidin-2-one
PubChem CID55299063
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(5R)-5-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)[C@H]1CCC(=O)N1
InChIInChI=1S/C8H15NO/c1-8(2,3)6-4-5-7(10)9-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKeyDOJXADPGSRMZCA-ZCFIWIBFSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butylpyrrolidin-2-one?
The IUPAC name of (5R)-5-tert-butylpyrrolidin-2-one (CID 55299063) is (5R)-5-tert-butylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-tert-butylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-tert-butylpyrrolidin-2-one is CC(C)(C)[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-tert-butylpyrrolidin-2-one?
The InChIKey is DOJXADPGSRMZCA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)6-4-5-7(10)9-6/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (5R)-5-tert-butylpyrrolidin-2-one?
(5R)-5-tert-butylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 55299063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).