(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one

C7H13NO2 — CID 55299112

IUPAC(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one
SMILESCC1CNC(=O)[C@@H]1[C@H](C)O
InChIInChI=1S/C7H13NO2/c1-4-3-8-7(10)6(4)5(2)9/h4-6,9H,3H2,1-2H3,(H,8,10)/t4?,5-,6-/m0/s1
InChIKeyNXXOJZVMGZUSSF-VZLNHYCJSA-N
MW143.19 g/mol
LogP-0.25
Rot. Bonds1

About (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one

(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one (PubChem CID 55299112) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one
PubChem CID55299112
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one
SMILESCC1CNC(=O)[C@@H]1[C@H](C)O
InChIInChI=1S/C7H13NO2/c1-4-3-8-7(10)6(4)5(2)9/h4-6,9H,3H2,1-2H3,(H,8,10)/t4?,5-,6-/m0/s1
InChIKeyNXXOJZVMGZUSSF-VZLNHYCJSA-N
XLogP-0.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Hydroxymethyl)pyrrolidin-2-one
CID 12698981
3-Ethyl-3-(hydroxymethyl)pyrrolidin-2-one
CID 84072651
2-Pyrrolidinone, 3-(1-hydroxyethyl)-
CID 559138
(3S)-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
CID 60011457
(3S,4S)-4-hydroxy-3-methylpyrrolidin-2-one
CID 643118
rel-(4R,5S)-4-Hydroxy-5-isopropylpyrrolidin-2-one
CID 101656084
2-Pyrrolidinone, 3-(1-hydroxyethyl)-4-methyl-
CID 558693
3,3-Diethyl-4-hydroxy-pyrrolidin-2-one
CID 582235
3-(1-Hydroxyethyl)-4-methyl-2,5-pyrrolidinedione
CID 45086102
3-(Hydroxymethyl)-4,4-dimethylpyrrolidin-2-one
CID 59203711
(4S)-4-[(1S)-1-hydroxypropyl]pyrrolidin-2-one
CID 60007126
(4S)-4-[(1R)-1-hydroxypropyl]pyrrolidin-2-one
CID 60011447

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one (CID 55299112) is (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one is CC1CNC(=O)[C@@H]1[C@H](C)O.
What is the InChIKey of (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one?
The InChIKey is NXXOJZVMGZUSSF-VZLNHYCJSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-3-8-7(10)6(4)5(2)9/h4-6,9H,3H2,1-2H3,(H,8,10)/t4?,5-,6-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one?
(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 55299112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).