molecular hydrogen;1H-pyrrole-2-carbaldehyde

C5H7NO — CID 142199801

IUPACmolecular hydrogen;1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc[nH]1.[H][H]
InChIInChI=1S/C5H5NO.H2/c7-4-5-2-1-3-6-5;/h1-4,6H;1H
InChIKeyDFGHMTQUKYAYMA-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.07
Rot. Bonds1

About molecular hydrogen;1H-pyrrole-2-carbaldehyde

molecular hydrogen;1H-pyrrole-2-carbaldehyde (PubChem CID 142199801) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is molecular hydrogen;1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Namemolecular hydrogen;1H-pyrrole-2-carbaldehyde
PubChem CID142199801
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Namemolecular hydrogen;1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc[nH]1.[H][H]
InChIInChI=1S/C5H5NO.H2/c7-4-5-2-1-3-6-5;/h1-4,6H;1H
InChIKeyDFGHMTQUKYAYMA-UHFFFAOYSA-N
XLogP1.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1H-pyrrole-2-carbaldehyde?
The IUPAC name of molecular hydrogen;1H-pyrrole-2-carbaldehyde (CID 142199801) is molecular hydrogen;1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for molecular hydrogen;1H-pyrrole-2-carbaldehyde?
The canonical SMILES for molecular hydrogen;1H-pyrrole-2-carbaldehyde is O=Cc1ccc[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;1H-pyrrole-2-carbaldehyde?
The InChIKey is DFGHMTQUKYAYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.H2/c7-4-5-2-1-3-6-5;/h1-4,6H;1H.
What are the key properties of molecular hydrogen;1H-pyrrole-2-carbaldehyde?
molecular hydrogen;1H-pyrrole-2-carbaldehyde has a molecular weight of 97.12 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 142199801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).