(4-ethoxyphenyl)-pyrrolidin-1-ylmethanone

C13H17NO2 — CID 721195

IUPAC(4-ethoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C13H17NO2/c1-2-16-12-7-5-11(6-8-12)13(15)14-9-3-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKeyNNNYSOBABPYXSK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.32
Rot. Bonds3

About (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone

(4-ethoxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 721195) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID721195
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4-ethoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C13H17NO2/c1-2-16-12-7-5-11(6-8-12)13(15)14-9-3-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKeyNNNYSOBABPYXSK-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone (CID 721195) is (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone is CCOc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is NNNYSOBABPYXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-12-7-5-11(6-8-12)13(15)14-9-3-4-10-14/h5-8H,2-4,9-10H2,1H3.
What are the key properties of (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone?
(4-ethoxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 219.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 721195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).