(Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium

C5H12N3O3+ — CID 137003763

IUPAC(Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium
SMILESOCC1CCN(/[N+](O)=N/O)C1
InChIInChI=1S/C5H11N3O3/c9-4-5-1-2-7(3-5)8(11)6-10/h5,9,11H,1-4H2/p+1
InChIKeyVLGNQFQATWMXKP-UHFFFAOYSA-O
MW162.17 g/mol
LogP-0.54
Rot. Bonds2

About (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium

(Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium (PubChem CID 137003763) has the molecular formula C5H12N3O3+ and a molecular weight of 162.17 g/mol. Its IUPAC name is (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium.

Molecular Properties

Compound Name(Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium
PubChem CID137003763
Molecular FormulaC5H12N3O3+
Molecular Weight162.17 g/mol
Exact Mass162.09
IUPAC Name(Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium
SMILESOCC1CCN(/[N+](O)=N/O)C1
InChIInChI=1S/C5H11N3O3/c9-4-5-1-2-7(3-5)8(11)6-10/h5,9,11H,1-4H2/p+1
InChIKeyVLGNQFQATWMXKP-UHFFFAOYSA-O
XLogP-0.54
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

(E)-[3-(hydroxymethyl)pyrrolidin-1-yl]-oxido-oxidoiminoazanium
CID 136618116
(E)-[3-(hydroxymethyl)piperidin-1-yl]-oxido-oxidoiminoazanium
CID 136618162
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 129393091
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
[(3R)-1-methylsulfanylpyrrolidin-3-yl]methanol
CID 134460596
3-(hydroxymethyl)pyrrolidine-1-carbaldehyde
CID 62372559
(1-but-3-ynylpyrrolidin-3-yl)methanol
CID 62372268
4-(hydroxymethyl)piperidine-1-carbonitrile
CID 51358289
1-(1,3-dioxoisoindol-2-yl)ethoxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium
CID 154333261
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451

Frequently Asked Questions

What is the IUPAC name of (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium?
The IUPAC name of (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium (CID 137003763) is (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium.
What is the SMILES notation for (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium?
The canonical SMILES for (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium is OCC1CCN(/[N+](O)=N/O)C1.
What is the InChIKey of (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium?
The InChIKey is VLGNQFQATWMXKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N3O3/c9-4-5-1-2-7(3-5)8(11)6-10/h5,9,11H,1-4H2/p+1.
What are the key properties of (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium?
(Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium has a molecular weight of 162.17 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydroxy-hydroxyimino-[3-(hydroxymethyl)pyrrolidin-1-yl]azanium is sourced from PubChem (CID 137003763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).