2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid

C19H19NO2 — CID 70797532

IUPAC2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid
SMILESCN1CC=C(C(C(=O)O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H19NO2/c1-20-13-12-17(14-20)19(18(21)22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeySDYOMLRMZRXXMT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.93
Rot. Bonds4

About 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid

2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid (PubChem CID 70797532) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid.

Molecular Properties

Compound Name2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid
PubChem CID70797532
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid
SMILESCN1CC=C(C(C(=O)O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H19NO2/c1-20-13-12-17(14-20)19(18(21)22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeySDYOMLRMZRXXMT-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid?
The IUPAC name of 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid (CID 70797532) is 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid.
What is the SMILES notation for 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid?
The canonical SMILES for 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid is CN1CC=C(C(C(=O)O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid?
The InChIKey is SDYOMLRMZRXXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20-13-12-17(14-20)19(18(21)22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid?
2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,5-dihydropyrrol-3-yl)-2,2-diphenylacetic acid is sourced from PubChem (CID 70797532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).