(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one

C7H13NO2 — CID 130735003

IUPAC(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1CCO
InChIInChI=1S/C7H13NO2/c1-8-6(4-5-9)2-3-7(8)10/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyLKQOTZSNCBMFBU-LURJTMIESA-N
MW143.19 g/mol
LogP-0.01
Rot. Bonds2

About (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one

(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one (PubChem CID 130735003) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one
PubChem CID130735003
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@H]1CCO
InChIInChI=1S/C7H13NO2/c1-8-6(4-5-9)2-3-7(8)10/h6,9H,2-5H2,1H3/t6-/m0/s1
InChIKeyLKQOTZSNCBMFBU-LURJTMIESA-N
XLogP-0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one
CID 163585594
1-cyclopropyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115013568
4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
CID 117011328
5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
CID 126856976
(5S)-5-(ethylaminomethyl)-1-methylpyrrolidin-2-one
CID 146339666
14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one
CID 11727411
(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 100665400
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
(5R)-5-(aminomethyl)-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 96680847
1-ethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 59752136
(5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one
CID 100665424
(5S)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one;(5S)-1-methyl-5-[[(2S)-oxan-2-yl]oxymethyl]pyrrolidin-2-one
CID 155796944

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one (CID 130735003) is (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one is CN1C(=O)CC[C@H]1CCO.
What is the InChIKey of (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one?
The InChIKey is LKQOTZSNCBMFBU-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-6(4-5-9)2-3-7(8)10/h6,9H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one?
(5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130735003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).