(3R)-3-hydroxy-1-methylpyrrolidin-2-one

C5H9NO2 — CID 69033113

IUPAC(3R)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@H](O)C1=O
InChIInChI=1S/C5H9NO2/c1-6-3-2-4(7)5(6)8/h4,7H,2-3H2,1H3/t4-/m1/s1
InChIKeyZHQJIJUMPYNVAZ-SCSAIBSYSA-N
MW115.13 g/mol
LogP-0.79
Rot. Bonds

About (3R)-3-hydroxy-1-methylpyrrolidin-2-one

(3R)-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 69033113) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID69033113
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(3R)-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CC[C@@H](O)C1=O
InChIInChI=1S/C5H9NO2/c1-6-3-2-4(7)5(6)8/h4,7H,2-3H2,1H3/t4-/m1/s1
InChIKeyZHQJIJUMPYNVAZ-SCSAIBSYSA-N
XLogP-0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Hydroxyethyl)-2-pyrrolidinone
CID 76980
2-hydroxy-N-methylsuccinimide
CID 260809
3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
(3S)-3-hydroxypyrrolidin-2-one
CID 11029774
(R)-3-Hydroxypyrrolidin-2-one
CID 641547
1-(3-Hydroxypropyl)pyrrolidin-2-one
CID 566744
3-Hydroxy-2-pyrrolidinone
CID 10240772
(2S)-2-hydroxy-1-(1-pyrrolidinyl)-1-propanone
CID 11051776
(S)-N-Methylhydroxysuccinimide
CID 13726417
1-(2-Hydroxypropyl)pyrrolidin-2-one
CID 21718835
1-(3-Hydroxypyrrolidin-1-yl)ethanone
CID 10197700
1-Ethyl-3-hydroxypyrrolidine-2,5-dione
CID 289368

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methylpyrrolidin-2-one (CID 69033113) is (3R)-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methylpyrrolidin-2-one is CN1CC[C@@H](O)C1=O.
What is the InChIKey of (3R)-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is ZHQJIJUMPYNVAZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-3-2-4(7)5(6)8/h4,7H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methylpyrrolidin-2-one?
(3R)-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 69033113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).