1-acetyl-4-hydroxypyrrolidin-2-one

C6H9NO3 — CID 539718

IUPAC1-acetyl-4-hydroxypyrrolidin-2-one
SMILESCC(=O)N1CC(O)CC1=O
InChIInChI=1S/C6H9NO3/c1-4(8)7-3-5(9)2-6(7)10/h5,9H,2-3H2,1H3
InChIKeyUWTRQRQULJQLKC-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.87
Rot. Bonds

About 1-acetyl-4-hydroxypyrrolidin-2-one

1-acetyl-4-hydroxypyrrolidin-2-one (PubChem CID 539718) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 1-acetyl-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-4-hydroxypyrrolidin-2-one
PubChem CID539718
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name1-acetyl-4-hydroxypyrrolidin-2-one
SMILESCC(=O)N1CC(O)CC1=O
InChIInChI=1S/C6H9NO3/c1-4(8)7-3-5(9)2-6(7)10/h5,9H,2-3H2,1H3
InChIKeyUWTRQRQULJQLKC-UHFFFAOYSA-N
XLogP-0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methylsuccinimide
CID 260809
3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
Tert-butyl 4-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 9899129
(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
tert-butyl (4S)-4-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 26119154
1-(3-Hydroxypyrrolidin-1-yl)ethanone
CID 10197700
1-Ethyl-3-hydroxypyrrolidine-2,5-dione
CID 289368
(3R)-3-hydroxy-1-methyl-pyrrolidin-2-one
CID 69033113
(R)-1-Acetyl-3-pyrrolidinol
CID 10486876

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-acetyl-4-hydroxypyrrolidin-2-one (CID 539718) is 1-acetyl-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-acetyl-4-hydroxypyrrolidin-2-one is CC(=O)N1CC(O)CC1=O.
What is the InChIKey of 1-acetyl-4-hydroxypyrrolidin-2-one?
The InChIKey is UWTRQRQULJQLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(8)7-3-5(9)2-6(7)10/h5,9H,2-3H2,1H3.
What are the key properties of 1-acetyl-4-hydroxypyrrolidin-2-one?
1-acetyl-4-hydroxypyrrolidin-2-one has a molecular weight of 143.14 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 539718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).