2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde

C11H11NO2 — CID 175288540

IUPAC2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde
SMILESO=CC1=CCC(O)(c2ccccc2)N1
InChIInChI=1S/C11H11NO2/c13-8-10-6-7-11(14,12-10)9-4-2-1-3-5-9/h1-6,8,12,14H,7H2
InChIKeyXVMKAKDFIBLQFI-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.91
Rot. Bonds2

About 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde

2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde (PubChem CID 175288540) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde
PubChem CID175288540
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde
SMILESO=CC1=CCC(O)(c2ccccc2)N1
InChIInChI=1S/C11H11NO2/c13-8-10-6-7-11(14,12-10)9-4-2-1-3-5-9/h1-6,8,12,14H,7H2
InChIKeyXVMKAKDFIBLQFI-UHFFFAOYSA-N
XLogP0.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde?
The IUPAC name of 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde (CID 175288540) is 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde.
What is the SMILES notation for 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde?
The canonical SMILES for 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde is O=CC1=CCC(O)(c2ccccc2)N1.
What is the InChIKey of 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde?
The InChIKey is XVMKAKDFIBLQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-8-10-6-7-11(14,12-10)9-4-2-1-3-5-9/h1-6,8,12,14H,7H2.
What are the key properties of 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde?
2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde has a molecular weight of 189.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde is sourced from PubChem (CID 175288540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).