4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid

C11H11NO2 — CID 15125938

IUPAC4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)CNC1
InChIInChI=1S/C11H11NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,13,14)
InChIKeyCRRWBJKHXSTGCA-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.13
Rot. Bonds2

About 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid

4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid (PubChem CID 15125938) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
PubChem CID15125938
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2)CNC1
InChIInChI=1S/C11H11NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,13,14)
InChIKeyCRRWBJKHXSTGCA-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid (CID 15125938) is 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid is O=C(O)C1=C(c2ccccc2)CNC1.
What is the InChIKey of 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid?
The InChIKey is CRRWBJKHXSTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)10-7-12-6-9(10)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,13,14).
What are the key properties of 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid?
4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 15125938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).