(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone

C15H21NO2 — CID 82552560

IUPAC(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
SMILESCCOc1ccc(C(=O)C2CCCN2)c(C)c1C
InChIInChI=1S/C15H21NO2/c1-4-18-14-8-7-12(10(2)11(14)3)15(17)13-6-5-9-16-13/h7-8,13,16H,4-6,9H2,1-3H3
InChIKeyMVPORHOLFKJNSK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds4

About (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone

(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82552560) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82552560
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
SMILESCCOc1ccc(C(=O)C2CCCN2)c(C)c1C
InChIInChI=1S/C15H21NO2/c1-4-18-14-8-7-12(10(2)11(14)3)15(17)13-6-5-9-16-13/h7-8,13,16H,4-6,9H2,1-3H3
InChIKeyMVPORHOLFKJNSK-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 82551437
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82553125
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552016
(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82553649
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone (CID 82552560) is (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone is CCOc1ccc(C(=O)C2CCCN2)c(C)c1C.
What is the InChIKey of (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is MVPORHOLFKJNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-18-14-8-7-12(10(2)11(14)3)15(17)13-6-5-9-16-13/h7-8,13,16H,4-6,9H2,1-3H3.
What are the key properties of (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone?
(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82552560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).