(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine

C15H21NO — CID 11817116

IUPAC(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-10-16-11-6-9-15(16)13-17-12-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2/t15-/m0/s1
InChIKeyFRHDNJLGSQBDTR-HNNXBMFYSA-N
MW231.34 g/mol
LogP2.85
Rot. Bonds6

About (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine

(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine (PubChem CID 11817116) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine
PubChem CID11817116
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-10-16-11-6-9-15(16)13-17-12-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2/t15-/m0/s1
InChIKeyFRHDNJLGSQBDTR-HNNXBMFYSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 10941465
3-methyl-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10755729
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-prop-2-enylpiperidine
CID 44820250
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
1-[4-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]pent-4-en-1-one
CID 99983777
(2R)-1-[(2R,6R)-2,6-bis(phenylmethoxymethyl)piperidin-1-yl]-2-methylpent-4-en-1-one
CID 14788306
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
tert-butyl (2R,3R)-3-(phenylmethoxymethyl)-1-prop-2-enylazetidine-2-carboxylate
CID 140904847
[(1S,2S)-2-ethenylcyclopropyl]methoxymethylbenzene
CID 15816056
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine?
The IUPAC name of (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine (CID 11817116) is (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine.
What is the SMILES notation for (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine?
The canonical SMILES for (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine is C=CCN1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine?
The InChIKey is FRHDNJLGSQBDTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-10-16-11-6-9-15(16)13-17-12-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2/t15-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine?
(2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylmethoxymethyl)-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 11817116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).