(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate

C17H23NO2 — CID 46213454

IUPAC(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
SMILESCN1CCC(OC(=O)C2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C17H23NO2/c1-18-12-9-15(13-18)20-16(19)17(10-5-6-11-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3
InChIKeyQAIYGQPEGUCGPK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.75
Rot. Bonds3

About (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate

(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate (PubChem CID 46213454) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
PubChem CID46213454
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
SMILESCN1CCC(OC(=O)C2(c3ccccc3)CCCC2)C1
InChIInChI=1S/C17H23NO2/c1-18-12-9-15(13-18)20-16(19)17(10-5-6-11-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3
InChIKeyQAIYGQPEGUCGPK-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213520
cyclohexyl 1-phenylcyclohexane-1-carboxylate
CID 54206862
(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
CID 23295066
[(8S)-4-methyl-4-azabicyclo[5.2.0]nonan-8-yl] 1-phenylcycloheptane-1-carboxylate
CID 70807097
(1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate
CID 54351072
piperidin-4-yl 1-phenylcycloheptane-1-carboxylate
CID 90705729
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 1-phenylcyclopentane-1-carboxylate
CID 762162
[(3S)-1,1-dimethylpyrrolidin-1-ium-3-yl] 1-phenylcycloheptane-1-carboxylate iodide
CID 24987734
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436357
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate (CID 46213454) is (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate is CN1CCC(OC(=O)C2(c3ccccc3)CCCC2)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate?
The InChIKey is QAIYGQPEGUCGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-12-9-15(13-18)20-16(19)17(10-5-6-11-17)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate?
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 46213454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).