(2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one

C18H19NO3 — CID 101465852

IUPAC(2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@@H]1OC(=O)[C@@](c2ccccc2)(c2cccnc2)O1
InChIInChI=1S/C18H19NO3/c1-17(2,3)16-21-15(20)18(22-16,13-8-5-4-6-9-13)14-10-7-11-19-12-14/h4-12,16H,1-3H3/t16-,18-/m1/s1
InChIKeyHUJLLSCNUQFKBJ-SJLPKXTDSA-N
MW297.35 g/mol
LogP3.27
Rot. Bonds2

About (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one

(2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one (PubChem CID 101465852) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one
PubChem CID101465852
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@@H]1OC(=O)[C@@](c2ccccc2)(c2cccnc2)O1
InChIInChI=1S/C18H19NO3/c1-17(2,3)16-21-15(20)18(22-16,13-8-5-4-6-9-13)14-10-7-11-19-12-14/h4-12,16H,1-3H3/t16-,18-/m1/s1
InChIKeyHUJLLSCNUQFKBJ-SJLPKXTDSA-N
XLogP3.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-2-tert-butyl-5-(cyclohexen-1-yl)-5-phenyl-1,3-dioxolan-4-one
CID 10542245
(2S,5R)-5-[4,5-bis(4-methylphenyl)furan-3-yl]-2-tert-butyl-5-phenyl-1,3-dioxolan-4-one
CID 101353895
(2S)-2-tert-butyl-5-[hydroxy(phenyl)methyl]-5-phenyl-1,3-dioxolan-4-one
CID 101350296
(2S,5S)-2-tert-butyl-5-phenyl-5-[(E)-2-phenylethenyl]-1,3-dioxolan-4-one
CID 101465854
3-[(S)-[(2S,4S)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-phenylmethyl]pentane-2,4-dione
CID 102252985
2-[(2S,4S)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-1,3-diphenylpropane-1,3-dione
CID 101353890
(2S,5R)-2-tert-butyl-5-methyl-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxolan-4-one
CID 11630460
dimethyl-phenyl-pyridin-3-ylsilane
CID 24822234
4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861250
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
CID 13486942
3,3-diphenylfuro[3,4-c]pyridin-1-one
CID 12671386
[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol
CID 54339470

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one?
The IUPAC name of (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one (CID 101465852) is (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one is CC(C)(C)[C@@H]1OC(=O)[C@@](c2ccccc2)(c2cccnc2)O1.
What is the InChIKey of (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one?
The InChIKey is HUJLLSCNUQFKBJ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H19NO3/c1-17(2,3)16-21-15(20)18(22-16,13-8-5-4-6-9-13)14-10-7-11-19-12-14/h4-12,16H,1-3H3/t16-,18-/m1/s1.
What are the key properties of (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one?
(2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one has a molecular weight of 297.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-tert-butyl-5-phenyl-5-pyridin-3-yl-1,3-dioxolan-4-one is sourced from PubChem (CID 101465852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).