(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine

C21H23NO — CID 134945988

IUPAC(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c1-23-17-20-13-8-16-22(20)21(19-11-6-3-7-12-19)15-14-18-9-4-2-5-10-18/h2-7,9-12,20-21H,8,13,16-17H2,1H3/t20-,21?/m1/s1
InChIKeyQBLMORNAADIDMI-VQCQRNETSA-N
MW305.42 g/mol
LogP3.89
Rot. Bonds4

About (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine

(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 134945988) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine
PubChem CID134945988
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c1-23-17-20-13-8-16-22(20)21(19-11-6-3-7-12-19)15-14-18-9-4-2-5-10-18/h2-7,9-12,20-21H,8,13,16-17H2,1H3/t20-,21?/m1/s1
InChIKeyQBLMORNAADIDMI-VQCQRNETSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
Oxazolidine, 3-(1-phenylbutyl)-, hydrochloride
CID 3056418
[(2R)-1-[[4-[2-(4-pentylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162644638
[(2R)-1-[[4-[2-(4-propylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162647377
[(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162660229
[(2R)-1-[[4-[2-(4-pentylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162663794
[(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162663948
[(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162665156
[(2R)-1-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162670762
(1-Benzylpyrrolidin-2-yl)methanol
CID 562951
Morpholine, 4-(1,3-diphenyl-2-propynyl)-
CID 3773039
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
CID 11173187

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine (CID 134945988) is (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine is COC[C@H]1CCCN1C(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is QBLMORNAADIDMI-VQCQRNETSA-N. The full InChI is InChI=1S/C21H23NO/c1-23-17-20-13-8-16-22(20)21(19-11-6-3-7-12-19)15-14-18-9-4-2-5-10-18/h2-7,9-12,20-21H,8,13,16-17H2,1H3/t20-,21?/m1/s1.
What are the key properties of (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine?
(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 305.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 134945988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).