(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone

C13H17NO2 — CID 116568424

IUPAC(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCCOc1cccc(C(=O)C2CCNC2)c1
InChIInChI=1S/C13H17NO2/c1-2-16-12-5-3-4-10(8-12)13(15)11-6-7-14-9-11/h3-5,8,11,14H,2,6-7,9H2,1H3
InChIKeyPWIXROIAWNDGCI-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.88
Rot. Bonds4

About (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone

(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone (PubChem CID 116568424) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
PubChem CID116568424
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone
SMILESCCOc1cccc(C(=O)C2CCNC2)c1
InChIInChI=1S/C13H17NO2/c1-2-16-12-5-3-4-10(8-12)13(15)11-6-7-14-9-11/h3-5,8,11,14H,2,6-7,9H2,1H3
InChIKeyPWIXROIAWNDGCI-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
3-(pyrrolidine-3-carbonyl)benzoic acid
CID 105473765
(3-ethoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947013
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
(3-ethoxyphenyl)-morpholin-3-ylmethanone
CID 116576412
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone (CID 116568424) is (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone is CCOc1cccc(C(=O)C2CCNC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone?
The InChIKey is PWIXROIAWNDGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-12-5-3-4-10(8-12)13(15)11-6-7-14-9-11/h3-5,8,11,14H,2,6-7,9H2,1H3.
What are the key properties of (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone?
(3-ethoxyphenyl)-pyrrolidin-3-ylmethanone has a molecular weight of 219.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).