1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine

C15H20ClNO2 — CID 134001152

IUPAC1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
SMILESC=C(Cl)CN1CCCC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20ClNO2/c1-11(16)10-17-8-4-5-13(17)12-6-7-14(18-2)15(9-12)19-3/h6-7,9,13H,1,4-5,8,10H2,2-3H3
InChIKeyQWULPMBUFXQIPO-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.59
Rot. Bonds5

About 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine

1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine (PubChem CID 134001152) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
PubChem CID134001152
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine
SMILESC=C(Cl)CN1CCCC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20ClNO2/c1-11(16)10-17-8-4-5-13(17)12-6-7-14(18-2)15(9-12)19-3/h6-7,9,13H,1,4-5,8,10H2,2-3H3
InChIKeyQWULPMBUFXQIPO-UHFFFAOYSA-N
XLogP3.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
5-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 92613045
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 134001147
3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
CID 136576676
ethyl 1-[2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 47023459
5-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 51934766
4-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 134001184
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134001135
2-tert-butyl-4-[[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 38082765
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine (CID 134001152) is 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine is C=C(Cl)CN1CCCC1c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine?
The InChIKey is QWULPMBUFXQIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(16)10-17-8-4-5-13(17)12-6-7-14(18-2)15(9-12)19-3/h6-7,9,13H,1,4-5,8,10H2,2-3H3.
What are the key properties of 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine?
1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine has a molecular weight of 281.78 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-2-(3,4-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 134001152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).