methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate

C22H19NO2 — CID 10958456

IUPACmethyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccn2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-25-20(24)22(19-14-8-9-15-23-19)16-21(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,16H2,1H3/t22-/m1/s1
InChIKeyZISPSAQAPYNUDH-JOCHJYFZSA-N
MW329.40 g/mol
LogP3.88
Rot. Bonds4

About methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate

methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate (PubChem CID 10958456) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
PubChem CID10958456
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Namemethyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccn2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c1-25-20(24)22(19-14-8-9-15-23-19)16-21(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,16H2,1H3/t22-/m1/s1
InChIKeyZISPSAQAPYNUDH-JOCHJYFZSA-N
XLogP3.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate (CID 10958456) is methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate is COC(=O)[C@]1(c2ccccn2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate?
The InChIKey is ZISPSAQAPYNUDH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-20(24)22(19-14-8-9-15-23-19)16-21(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,16H2,1H3/t22-/m1/s1.
What are the key properties of methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate?
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 10958456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).