4-hydroxy-1-nitrosopyrrolidin-2-one

C4H6N2O3 — CID 154728047

IUPAC4-hydroxy-1-nitrosopyrrolidin-2-one
SMILESO=NN1CC(O)CC1=O
InChIInChI=1S/C4H6N2O3/c7-3-1-4(8)6(2-3)5-9/h3,7H,1-2H2
InChIKeyCFBRABRMWITCFJ-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.74
Rot. Bonds1

About 4-hydroxy-1-nitrosopyrrolidin-2-one

4-hydroxy-1-nitrosopyrrolidin-2-one (PubChem CID 154728047) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 4-hydroxy-1-nitrosopyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-nitrosopyrrolidin-2-one
PubChem CID154728047
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name4-hydroxy-1-nitrosopyrrolidin-2-one
SMILESO=NN1CC(O)CC1=O
InChIInChI=1S/C4H6N2O3/c7-3-1-4(8)6(2-3)5-9/h3,7H,1-2H2
InChIKeyCFBRABRMWITCFJ-UHFFFAOYSA-N
XLogP-0.74
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one
CID 107849713
1-(7-bicyclo[4.1.0]heptanyl)-4-hydroxypyrrolidin-2-one
CID 130874919
4-hydroxy-1-methylpyrrolidin-2-one;methane;1-methylpyrrolidine-3,4-diol
CID 160692624
(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168701722
(1S,8R,10S,17R,18S,19S)-5,14-dihydroxy-2,7,11,16-tetrazahexacyclo[15.2.1.02,7.08,19.010,18.011,16]icosane-3,12-dione
CID 11198412
1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one
CID 168702823
1-(2,3-dihydro-1H-inden-2-yl)-4-hydroxypyrrolidin-2-one
CID 107849710
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 127013544
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
potassium;hydride;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
CID 174987008
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-nitrosopyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-nitrosopyrrolidin-2-one (CID 154728047) is 4-hydroxy-1-nitrosopyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-nitrosopyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-nitrosopyrrolidin-2-one is O=NN1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-nitrosopyrrolidin-2-one?
The InChIKey is CFBRABRMWITCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c7-3-1-4(8)6(2-3)5-9/h3,7H,1-2H2.
What are the key properties of 4-hydroxy-1-nitrosopyrrolidin-2-one?
4-hydroxy-1-nitrosopyrrolidin-2-one has a molecular weight of 130.10 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-nitrosopyrrolidin-2-one is sourced from PubChem (CID 154728047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).