hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium

C5H11N3O3 — CID 136700336

IUPAChydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium
SMILES[O-][N+](=NO)N1CCCC1CO
InChIInChI=1S/C5H11N3O3/c9-4-5-2-1-3-7(5)8(11)6-10/h5,9-10H,1-4H2
InChIKeyXXQFSNUWMCQUBN-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.29
Rot. Bonds2

About hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium

hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium (PubChem CID 136700336) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium.

Molecular Properties

Compound Namehydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium
PubChem CID136700336
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Namehydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium
SMILES[O-][N+](=NO)N1CCCC1CO
InChIInChI=1S/C5H11N3O3/c9-4-5-2-1-3-7(5)8(11)6-10/h5,9-10H,1-4H2
InChIKeyXXQFSNUWMCQUBN-UHFFFAOYSA-N
XLogP-0.29
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-methylimino-oxidoazanium
CID 163918720
(Z)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[(Z)-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazaniumylidene]amino]oxy-2,4-dinitrophenoxy]imino-oxidoazanium
CID 25179308
(Z)-(2-carboxypyrrolidin-1-yl)-hydroxyimino-oxidoazanium
CID 135530191
[(2S)-1-chloropyrrolidin-2-yl]methanol
CID 89280980
[(2S)-1-(114C)methylpyrrolidin-2-yl]methanol
CID 169020571
(1-hydroxypiperidin-2-yl)methanol
CID 91286383
(1-aminopyrrolidin-2-yl)methanol
CID 13311692
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
(E)-[3-(hydroxymethyl)piperidin-1-yl]-oxido-oxidoiminoazanium
CID 136618162

Frequently Asked Questions

What is the IUPAC name of hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium?
The IUPAC name of hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium (CID 136700336) is hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium.
What is the SMILES notation for hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium?
The canonical SMILES for hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium is [O-][N+](=NO)N1CCCC1CO.
What is the InChIKey of hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium?
The InChIKey is XXQFSNUWMCQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c9-4-5-2-1-3-7(5)8(11)6-10/h5,9-10H,1-4H2.
What are the key properties of hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium?
hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium has a molecular weight of 161.16 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium is sourced from PubChem (CID 136700336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).