(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone

C16H23NO2 — CID 82552016

IUPAC(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone
SMILESCCCOc1ccc(C(=O)C2CCCN2)c(CC)c1
InChIInChI=1S/C16H23NO2/c1-3-10-19-13-7-8-14(12(4-2)11-13)16(18)15-6-5-9-17-15/h7-8,11,15,17H,3-6,9-10H2,1-2H3
InChIKeyIBJATYMLEYGHJU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.97
Rot. Bonds6

About (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone

(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82552016) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone
PubChem CID82552016
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone
SMILESCCCOc1ccc(C(=O)C2CCCN2)c(CC)c1
InChIInChI=1S/C16H23NO2/c1-3-10-19-13-7-8-14(12(4-2)11-13)16(18)15-6-5-9-17-15/h7-8,11,15,17H,3-6,9-10H2,1-2H3
InChIKeyIBJATYMLEYGHJU-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
CID 116547773
[2-methyl-4-(2-methylpropoxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82553649
(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560
cyclopropyl-(4-ethoxy-2-ethylphenyl)methanone
CID 82267347
2-chloro-1-(2-ethyl-4-propoxyphenyl)ethanone
CID 82267367
2-(3,4-dimethylphenoxy)ethyl (2S)-piperidine-2-carboxylate
CID 122595161
(3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82553105
(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 82551437
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
propyl piperidine-2-carboxylate
CID 43248024

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone (CID 82552016) is (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone is CCCOc1ccc(C(=O)C2CCCN2)c(CC)c1.
What is the InChIKey of (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is IBJATYMLEYGHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-10-19-13-7-8-14(12(4-2)11-13)16(18)15-6-5-9-17-15/h7-8,11,15,17H,3-6,9-10H2,1-2H3.
What are the key properties of (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone?
(2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 261.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-propoxyphenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82552016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).