(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine

C19H21NO2 — CID 15749487

IUPAC(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine
SMILESc1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCN3)O2)cc1
InChIInChI=1S/C19H21NO2/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)21-14-18(22-19)17-12-7-13-20-17/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18+/m0/s1
InChIKeyNNIUYPMCSFIKJL-ZWKOTPCHSA-N
MW295.38 g/mol
LogP3.06
Rot. Bonds3

About (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine

(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine (PubChem CID 15749487) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine
PubChem CID15749487
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine
SMILESc1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCN3)O2)cc1
InChIInChI=1S/C19H21NO2/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)21-14-18(22-19)17-12-7-13-20-17/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18+/m0/s1
InChIKeyNNIUYPMCSFIKJL-ZWKOTPCHSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine?
The IUPAC name of (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine (CID 15749487) is (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine?
The canonical SMILES for (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine is c1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCN3)O2)cc1.
What is the InChIKey of (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine?
The InChIKey is NNIUYPMCSFIKJL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)21-14-18(22-19)17-12-7-13-20-17/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18+/m0/s1.
What are the key properties of (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine?
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine has a molecular weight of 295.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]pyrrolidine is sourced from PubChem (CID 15749487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).