hydron;2H-pyrrole-2-carbaldehyde

C5H6NO+ — CID 175331404

IUPAChydron;2H-pyrrole-2-carbaldehyde
SMILESO=CC1C=CC=N1.[H+]
InChIInChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-5H/p+1
InChIKeyTVBNTCAWWPRETB-UHFFFAOYSA-O
MW96.11 g/mol
LogP0.31
Rot. Bonds1

About hydron;2H-pyrrole-2-carbaldehyde

hydron;2H-pyrrole-2-carbaldehyde (PubChem CID 175331404) has the molecular formula C5H6NO+ and a molecular weight of 96.11 g/mol. Its IUPAC name is hydron;2H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Namehydron;2H-pyrrole-2-carbaldehyde
PubChem CID175331404
Molecular FormulaC5H6NO+
Molecular Weight96.11 g/mol
Exact Mass96.04
IUPAC Namehydron;2H-pyrrole-2-carbaldehyde
SMILESO=CC1C=CC=N1.[H+]
InChIInChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-5H/p+1
InChIKeyTVBNTCAWWPRETB-UHFFFAOYSA-O
XLogP0.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydropyridine-2-carbaldehyde
CID 18785126
2H-pyrrole-2-carbaldehyde
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2H-pyrrole-5-carbaldehyde
CID 20649083
2-Methylpyrrole-2-carbaldehyde
CID 57115552
(Z)-5-propan-2-yliminopent-3-enal
CID 90771683
(Z)-5-ethyliminopent-3-enal
CID 90848161
2H-Pyrrole-2,2-dicarbaldehyde
CID 127256682
2H-azepine-2-carbaldehyde
CID 142872852
2H-azepine-2-carbaldehyde;hydron
CID 174271415
2-(2H-pyrrol-2-yl)ethenone
CID 119084246

Frequently Asked Questions

What is the IUPAC name of hydron;2H-pyrrole-2-carbaldehyde?
The IUPAC name of hydron;2H-pyrrole-2-carbaldehyde (CID 175331404) is hydron;2H-pyrrole-2-carbaldehyde.
What is the SMILES notation for hydron;2H-pyrrole-2-carbaldehyde?
The canonical SMILES for hydron;2H-pyrrole-2-carbaldehyde is O=CC1C=CC=N1.[H+].
What is the InChIKey of hydron;2H-pyrrole-2-carbaldehyde?
The InChIKey is TVBNTCAWWPRETB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-5H/p+1.
What are the key properties of hydron;2H-pyrrole-2-carbaldehyde?
hydron;2H-pyrrole-2-carbaldehyde has a molecular weight of 96.11 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 175331404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).