2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid

C21H19NO2 — CID 67855998

IUPAC2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid
SMILESO=C(O)C(c1ccccc1)(c1ccccc1)c1ccc2n1CCC2
InChIInChI=1S/C21H19NO2/c23-20(24)21(16-8-3-1-4-9-16,17-10-5-2-6-11-17)19-14-13-18-12-7-15-22(18)19/h1-6,8-11,13-14H,7,12,15H2,(H,23,24)
InChIKeySHHWMARTKGIBKJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.85
Rot. Bonds4

About 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid

2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid (PubChem CID 67855998) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid
PubChem CID67855998
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid
SMILESO=C(O)C(c1ccccc1)(c1ccccc1)c1ccc2n1CCC2
InChIInChI=1S/C21H19NO2/c23-20(24)21(16-8-3-1-4-9-16,17-10-5-2-6-11-17)19-14-13-18-12-7-15-22(18)19/h1-6,8-11,13-14H,7,12,15H2,(H,23,24)
InChIKeySHHWMARTKGIBKJ-UHFFFAOYSA-N
XLogP3.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid (CID 67855998) is 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid is O=C(O)C(c1ccccc1)(c1ccccc1)c1ccc2n1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid?
The InChIKey is SHHWMARTKGIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-20(24)21(16-8-3-1-4-9-16,17-10-5-2-6-11-17)19-14-13-18-12-7-15-22(18)19/h1-6,8-11,13-14H,7,12,15H2,(H,23,24).
What are the key properties of 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid?
2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid has a molecular weight of 317.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolizin-3-yl)-2,2-diphenylacetic acid is sourced from PubChem (CID 67855998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).