1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone

C14H19NO2 — CID 83982048

IUPAC1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
SMILESCCOc1ccc(N2CCC(C(C)=O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-3-17-14-6-4-13(5-7-14)15-9-8-12(10-15)11(2)16/h4-7,12H,3,8-10H2,1-2H3
InChIKeyHNRHFKZPDKIEFG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds4

About 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone

1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone (PubChem CID 83982048) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
PubChem CID83982048
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
SMILESCCOc1ccc(N2CCC(C(C)=O)C2)cc1
InChIInChI=1S/C14H19NO2/c1-3-17-14-6-4-13(5-7-14)15-9-8-12(10-15)11(2)16/h4-7,12H,3,8-10H2,1-2H3
InChIKeyHNRHFKZPDKIEFG-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 1-(4-ethoxyphenyl)pyrrolidine-3-carboxylate
CID 83982034
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
2-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83982051
methyl 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83982053
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone (CID 83982048) is 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone is CCOc1ccc(N2CCC(C(C)=O)C2)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone?
The InChIKey is HNRHFKZPDKIEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-17-14-6-4-13(5-7-14)15-9-8-12(10-15)11(2)16/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone?
1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 83982048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).