1-(2-hydroxyiminopropyl)pyrrolidin-2-one

C7H12N2O2 — CID 72586532

IUPAC1-(2-hydroxyiminopropyl)pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)=NO
InChIInChI=1S/C7H12N2O2/c1-6(8-11)5-9-4-2-3-7(9)10/h11H,2-5H2,1H3
InChIKeyNGIAUVSGGPVSHI-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.46
Rot. Bonds2

About 1-(2-hydroxyiminopropyl)pyrrolidin-2-one

1-(2-hydroxyiminopropyl)pyrrolidin-2-one (PubChem CID 72586532) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(2-hydroxyiminopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyiminopropyl)pyrrolidin-2-one
PubChem CID72586532
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-(2-hydroxyiminopropyl)pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)=NO
InChIInChI=1S/C7H12N2O2/c1-6(8-11)5-9-4-2-3-7(9)10/h11H,2-5H2,1H3
InChIKeyNGIAUVSGGPVSHI-UHFFFAOYSA-N
XLogP0.46
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide
CID 76587960
2-(2-oxopyrrolidin-1-yl)ethanimidamide
CID 11971110
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
2-(2-oxopiperidin-1-yl)acetate
CID 18981165
1-[(methyldisulfanyl)methyl]pyrrolidin-2-one
CID 166715430
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyiminopropyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-hydroxyiminopropyl)pyrrolidin-2-one (CID 72586532) is 1-(2-hydroxyiminopropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-hydroxyiminopropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-hydroxyiminopropyl)pyrrolidin-2-one is CC(CN1CCCC1=O)=NO.
What is the InChIKey of 1-(2-hydroxyiminopropyl)pyrrolidin-2-one?
The InChIKey is NGIAUVSGGPVSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(8-11)5-9-4-2-3-7(9)10/h11H,2-5H2,1H3.
What are the key properties of 1-(2-hydroxyiminopropyl)pyrrolidin-2-one?
1-(2-hydroxyiminopropyl)pyrrolidin-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyiminopropyl)pyrrolidin-2-one is sourced from PubChem (CID 72586532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).