1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium

C4H8NO+ — CID 123710276

IUPAC1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium
SMILESO[N+]1=CCCC1
InChIInChI=1S/C4H8NO/c6-5-3-1-2-4-5/h3,6H,1-2,4H2/q+1
InChIKeyWDELPJZDNAWVRN-UHFFFAOYSA-N
MW86.11 g/mol
LogP0.25
Rot. Bonds

About 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium

1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium (PubChem CID 123710276) has the molecular formula C4H8NO+ and a molecular weight of 86.11 g/mol. Its IUPAC name is 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium.

Molecular Properties

Compound Name1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium
PubChem CID123710276
Molecular FormulaC4H8NO+
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Name1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium
SMILESO[N+]1=CCCC1
InChIInChI=1S/C4H8NO/c6-5-3-1-2-4-5/h3,6H,1-2,4H2/q+1
InChIKeyWDELPJZDNAWVRN-UHFFFAOYSA-N
XLogP0.25
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Oxo-3,4-dihydro-2H-1lambda~5~-pyrrole
CID 300148
3-fluoro-1-oxido-3,4-dihydro-2H-pyrrol-1-ium
CID 178244282
N-ethylpropan-1-imine oxide
CID 13999837
Ethylidene-hydroxy-propylazanium
CID 53861611
(E)-butyl-ethylidene-hydroxyazanium
CID 58947042
N-butylethanimine oxide
CID 59064396
Butyl-ethylidene-hydroxyazanium
CID 72471635
N-butylethanimine oxide
CID 72505023
N-ethylpropan-1-imine oxide
CID 85578754
N-propylpropan-1-imine oxide
CID 85764120
N-butylpropan-1-imine oxide
CID 140011621
3,4-dihydro-2H-pyrrole;hydrate;hydrochloride
CID 140990774

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium?
The IUPAC name of 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium (CID 123710276) is 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium.
What is the SMILES notation for 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium?
The canonical SMILES for 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium is O[N+]1=CCCC1.
What is the InChIKey of 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium?
The InChIKey is WDELPJZDNAWVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO/c6-5-3-1-2-4-5/h3,6H,1-2,4H2/q+1.
What are the key properties of 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium?
1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium has a molecular weight of 86.11 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dihydro-2H-pyrrol-1-ium is sourced from PubChem (CID 123710276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).