[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

C16H21NO2 — CID 42919745

IUPAC[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2CC2C)cc1
InChIInChI=1S/C16H21NO2/c1-11-10-14(11)16(18)17-9-3-4-15(17)12-5-7-13(19-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyJRFXZHUHCRFWDG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.01
Rot. Bonds3

About [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 42919745) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID42919745
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2CC2C)cc1
InChIInChI=1S/C16H21NO2/c1-11-10-14(11)16(18)17-9-3-4-15(17)12-5-7-13(19-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyJRFXZHUHCRFWDG-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51856452
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
tert-butyl (2R,4R)-4-hydroxy-2-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 156595432
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 119695947
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (CID 42919745) is [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is COc1ccc(C2CCCN2C(=O)C2CC2C)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is JRFXZHUHCRFWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-10-14(11)16(18)17-9-3-4-15(17)12-5-7-13(19-2)8-6-12/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 42919745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).