(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C13H17NO3 — CID 66261765

IUPAC(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-12-5-3-10(4-6-12)13(16)14-8-7-11(15)9-14/h3-6,11,15H,2,7-9H2,1H3/t11-/m1/s1
InChIKeyUVJDSYWXTKCIKJ-LLVKDONJSA-N
MW235.28 g/mol
LogP1.29
Rot. Bonds3

About (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66261765) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66261765
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-12-5-3-10(4-6-12)13(16)14-8-7-11(15)9-14/h3-6,11,15H,2,7-9H2,1H3/t11-/m1/s1
InChIKeyUVJDSYWXTKCIKJ-LLVKDONJSA-N
XLogP1.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(4-butan-2-yloxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111825794
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 66262351
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518
(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66261765) is (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CCOc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is UVJDSYWXTKCIKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-12-5-3-10(4-6-12)13(16)14-8-7-11(15)9-14/h3-6,11,15H,2,7-9H2,1H3/t11-/m1/s1.
What are the key properties of (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 235.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66261765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).