(2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine

C20H23NO3 — CID 10592149

IUPAC(2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
SMILESC=C[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1O
InChIInChI=1S/C20H23NO3/c1-2-18-20(24-15-17-11-7-4-8-12-17)19(13-21(18)22)23-14-16-9-5-3-6-10-16/h2-12,18-20,22H,1,13-15H2/t18-,19-,20-/m0/s1
InChIKeyKXQVTQNQFSEGIX-UFYCRDLUSA-N
MW325.41 g/mol
LogP3.42
Rot. Bonds7

About (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine

(2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine (PubChem CID 10592149) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine.

Molecular Properties

Compound Name(2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
PubChem CID10592149
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
SMILESC=C[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1O
InChIInChI=1S/C20H23NO3/c1-2-18-20(24-15-17-11-7-4-8-12-17)19(13-21(18)22)23-14-16-9-5-3-6-10-16/h2-12,18-20,22H,1,13-15H2/t18-,19-,20-/m0/s1
InChIKeyKXQVTQNQFSEGIX-UFYCRDLUSA-N
XLogP3.42
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine?
The IUPAC name of (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine (CID 10592149) is (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine.
What is the SMILES notation for (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine?
The canonical SMILES for (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine is C=C[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1O.
What is the InChIKey of (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine?
The InChIKey is KXQVTQNQFSEGIX-UFYCRDLUSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-18-20(24-15-17-11-7-4-8-12-17)19(13-21(18)22)23-14-16-9-5-3-6-10-16/h2-12,18-20,22H,1,13-15H2/t18-,19-,20-/m0/s1.
What are the key properties of (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine?
(2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine has a molecular weight of 325.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine is sourced from PubChem (CID 10592149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).