(2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine

C15H21NO — CID 12598576

IUPAC(2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine
SMILESCOC[C@@H]1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C15H21NO/c1-17-13-15-10-6-12-16(15)11-5-9-14-7-3-2-4-8-14/h2-5,7-9,15H,6,10-13H2,1H3/b9-5+/t15-/m0/s1
InChIKeyJJYVYTOAXNVRGE-BOSPYUDASA-N
MW231.34 g/mol
LogP2.81
Rot. Bonds5

About (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine

(2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine (PubChem CID 12598576) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine
PubChem CID12598576
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine
SMILESCOC[C@@H]1CCCN1C/C=C/c1ccccc1
InChIInChI=1S/C15H21NO/c1-17-13-15-10-6-12-16(15)11-5-9-14-7-3-2-4-8-14/h2-5,7-9,15H,6,10-13H2,1H3/b9-5+/t15-/m0/s1
InChIKeyJJYVYTOAXNVRGE-BOSPYUDASA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine (CID 12598576) is (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine is COC[C@@H]1CCCN1C/C=C/c1ccccc1.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The InChIKey is JJYVYTOAXNVRGE-BOSPYUDASA-N. The full InChI is InChI=1S/C15H21NO/c1-17-13-15-10-6-12-16(15)11-5-9-14-7-3-2-4-8-14/h2-5,7-9,15H,6,10-13H2,1H3/b9-5+/t15-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
(2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine is sourced from PubChem (CID 12598576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).