(4S)-4-hydroxy-1-methylpyrrolidin-2-one

C5H9NO2 — CID 57237418

IUPAC(4S)-4-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](O)CC1=O
InChIInChI=1S/C5H9NO2/c1-6-3-4(7)2-5(6)8/h4,7H,2-3H2,1H3/t4-/m0/s1
InChIKeyYRVPVSMWSPGZSV-BYPYZUCNSA-N
MW115.13 g/mol
LogP-0.79
Rot. Bonds

About (4S)-4-hydroxy-1-methylpyrrolidin-2-one

(4S)-4-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 57237418) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (4S)-4-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-1-methylpyrrolidin-2-one
PubChem CID57237418
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(4S)-4-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](O)CC1=O
InChIInChI=1S/C5H9NO2/c1-6-3-4(7)2-5(6)8/h4,7H,2-3H2,1H3/t4-/m0/s1
InChIKeyYRVPVSMWSPGZSV-BYPYZUCNSA-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
4-Hydroxy-2-pyrrolidinone
CID 152807
2-Pyrrolidinone, 4-hydroxy-, (4S)-
CID 155084
2-hydroxy-N-methylsuccinimide
CID 260809
(R)-(+)-4-Hydroxy-2-pyrrolidinone
CID 185505
3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
1-(3-Hydroxypropyl)pyrrolidin-2-one
CID 566744
(S)-N-Methylhydroxysuccinimide
CID 13726417
3-(4-Hydroxy-2-oxopyrrolidin-1-yl)propanimidic acid
CID 3052160
1-Pyrrolidineacetic acid, 4-hydroxy-2-oxo-, (+-)-
CID 11126541
1-(2-Hydroxypropyl)pyrrolidin-2-one
CID 21718835
1-(3-Hydroxypyrrolidin-1-yl)ethanone
CID 10197700

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-hydroxy-1-methylpyrrolidin-2-one (CID 57237418) is (4S)-4-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-hydroxy-1-methylpyrrolidin-2-one is CN1C[C@@H](O)CC1=O.
What is the InChIKey of (4S)-4-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is YRVPVSMWSPGZSV-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-3-4(7)2-5(6)8/h4,7H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (4S)-4-hydroxy-1-methylpyrrolidin-2-one?
(4S)-4-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 (4S)-4-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 57237418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).