(3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one

C9H17NO2 — CID 155364540

IUPAC(3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC1C[C@](O)(C(C)C)C(=O)N1C
InChIInChI=1S/C9H17NO2/c1-6(2)9(12)5-7(3)10(4)8(9)11/h6-7,12H,5H2,1-4H3/t7?,9-/m0/s1
InChIKeyWHZLYEQNNBZCTG-NETXQHHPSA-N
MW171.24 g/mol
LogP0.62
Rot. Bonds1

About (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one

(3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one (PubChem CID 155364540) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one
PubChem CID155364540
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one
SMILESCC1C[C@](O)(C(C)C)C(=O)N1C
InChIInChI=1S/C9H17NO2/c1-6(2)9(12)5-7(3)10(4)8(9)11/h6-7,12H,5H2,1-4H3/t7?,9-/m0/s1
InChIKeyWHZLYEQNNBZCTG-NETXQHHPSA-N
XLogP0.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one (CID 155364540) is (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one is CC1C[C@](O)(C(C)C)C(=O)N1C.
What is the InChIKey of (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is WHZLYEQNNBZCTG-NETXQHHPSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)9(12)5-7(3)10(4)8(9)11/h6-7,12H,5H2,1-4H3/t7?,9-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one?
(3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1,5-dimethyl-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 155364540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).