(3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one

C10H19NO2 — CID 170405095

IUPAC(3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one
SMILESCCC(C)[C@]1(O)C(=O)N(C)CC1C
InChIInChI=1S/C10H19NO2/c1-5-7(2)10(13)8(3)6-11(4)9(10)12/h7-8,13H,5-6H2,1-4H3/t7?,8?,10-/m1/s1
InChIKeyHKOWQMFYCPNUDB-SFVIPPHHSA-N
MW185.27 g/mol
LogP0.87
Rot. Bonds2

About (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one

(3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one (PubChem CID 170405095) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one
PubChem CID170405095
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one
SMILESCCC(C)[C@]1(O)C(=O)N(C)CC1C
InChIInChI=1S/C10H19NO2/c1-5-7(2)10(13)8(3)6-11(4)9(10)12/h7-8,13H,5-6H2,1-4H3/t7?,8?,10-/m1/s1
InChIKeyHKOWQMFYCPNUDB-SFVIPPHHSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one?
The IUPAC name of (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one (CID 170405095) is (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one is CCC(C)[C@]1(O)C(=O)N(C)CC1C.
What is the InChIKey of (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one?
The InChIKey is HKOWQMFYCPNUDB-SFVIPPHHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7(2)10(13)8(3)6-11(4)9(10)12/h7-8,13H,5-6H2,1-4H3/t7?,8?,10-/m1/s1.
What are the key properties of (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one?
(3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butan-2-yl-3-hydroxy-1,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 170405095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).