5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one

C10H19NO2 — CID 134414938

IUPAC5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one
SMILESCCC[C@@H](C)N1C(=O)CCC1(C)O
InChIInChI=1S/C10H19NO2/c1-4-5-8(2)11-9(12)6-7-10(11,3)13/h8,13H,4-7H2,1-3H3/t8-,10?/m1/s1
InChIKeyQNBMFTGBIZSSGV-HNHGDDPOSA-N
MW185.27 g/mol
LogP1.51
Rot. Bonds3

About 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one

5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one (PubChem CID 134414938) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one
PubChem CID134414938
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one
SMILESCCC[C@@H](C)N1C(=O)CCC1(C)O
InChIInChI=1S/C10H19NO2/c1-4-5-8(2)11-9(12)6-7-10(11,3)13/h8,13H,4-7H2,1-3H3/t8-,10?/m1/s1
InChIKeyQNBMFTGBIZSSGV-HNHGDDPOSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one (CID 134414938) is 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one is CCC[C@@H](C)N1C(=O)CCC1(C)O.
What is the InChIKey of 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one?
The InChIKey is QNBMFTGBIZSSGV-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-8(2)11-9(12)6-7-10(11,3)13/h8,13H,4-7H2,1-3H3/t8-,10?/m1/s1.
What are the key properties of 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one?
5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methyl-1-[(2R)-pentan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 134414938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).