4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one

C8H15NO2 — CID 85401013

IUPAC4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one
SMILESCCC1CNC(=O)C1C(C)O
InChIInChI=1S/C8H15NO2/c1-3-6-4-9-8(11)7(6)5(2)10/h5-7,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyFZKPXWUTFBTPHL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.14
Rot. Bonds2

About 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one

4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one (PubChem CID 85401013) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one
PubChem CID85401013
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one
SMILESCCC1CNC(=O)C1C(C)O
InChIInChI=1S/C8H15NO2/c1-3-6-4-9-8(11)7(6)5(2)10/h5-7,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyFZKPXWUTFBTPHL-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(1S)-1-hydroxyethyl]-4-methylpyrrolidin-2-one
CID 55299112
(3R)-3-(1-hydroxyethyl)azetidin-2-one
CID 68917580
(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 59706724
(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one
CID 55302117
3-benzyl-4-ethylpyrrolidin-2-one;ethane
CID 142181453
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 131851987
ethane;ethyl 4-(2-methylpropyl)-2-oxopyrrolidine-3-carboxylate;formic acid
CID 141179041
3-(1-hydroxyethyl)pyrrolidin-2-one
CID 559138
3-methyl-4-(2-methylpropyl)pyrrolidin-2-one;4-(2-methylpropyl)-2-oxopyrrolidine-3-carboxylic acid
CID 159747193
2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid
CID 13374060
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
3-methyl-4-pentan-3-ylpyrrolidin-2-one
CID 130855793

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one (CID 85401013) is 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one is CCC1CNC(=O)C1C(C)O.
What is the InChIKey of 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is FZKPXWUTFBTPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-6-4-9-8(11)7(6)5(2)10/h5-7,10H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one?
4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 85401013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).