(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one

C8H15NO — CID 152785079

IUPAC(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CC[C@@H]1C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(3)4-5-8(9)10/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyRUQZMDBLTJXGKV-ZETCQYMHSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds1

About (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one

(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one (PubChem CID 152785079) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
PubChem CID152785079
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CC[C@@H]1C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(3)4-5-8(9)10/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyRUQZMDBLTJXGKV-ZETCQYMHSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
CID 178109240
2-(2-methyl-5-oxopyrrolidin-1-yl)butanamide
CID 72770362
3,3-bis(dimethylamino)-2-(2-methyl-5-oxopyrrolidin-1-yl)propanenitrile
CID 20794225
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356
1,6-di(propan-2-yl)piperidin-2-one;ethane
CID 167704362
7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882407
(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622
2-(2-ethyl-5-oxopyrrolidin-1-yl)butanenitrile
CID 68841358
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-methylpyrrolidin-2-one
CID 91339792
5-methyl-1-propan-2-ylpyrrolidine-2,4-dione
CID 59298741
5-methyl-1-propan-2-ylimidazolidin-2-one
CID 166718631

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one (CID 152785079) is (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C(=O)CC[C@@H]1C.
What is the InChIKey of (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is RUQZMDBLTJXGKV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)9-7(3)4-5-8(9)10/h6-7H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one?
(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 152785079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).