(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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Related Compounds

(3R)-3-hydroxy-1,4-dimethyl-3-propan-2-ylpyrrolidin-2-one
CID 155363840
1,4-dimethyl-3,3-bis(methylsulfanyl)pyrrolidin-2-one
CID 134297864
3,3-diethyl-1,5-dimethylpiperidine-2,4-dione
CID 154125382
1-methyl-5-(2-methylbutylamino)piperidin-2-one
CID 64654315
1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
5-ethyl-1,3,3,4-tetramethylpiperazin-2-one
CID 175555162
1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione
CID 106802582
2-(2,3-dimethyl-5-oxo-3-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105467609
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 60616692
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 64667991
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793

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).