2-phenoxy-1-pyrrolidin-1-ylethanone

C12H15NO2 — CID 910270

IUPAC2-phenoxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyFYNNGWZCHCSIQA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.69
Rot. Bonds3

About 2-phenoxy-1-pyrrolidin-1-ylethanone

2-phenoxy-1-pyrrolidin-1-ylethanone (PubChem CID 910270) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-phenoxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-phenoxy-1-pyrrolidin-1-ylethanone
PubChem CID910270
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-phenoxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyFYNNGWZCHCSIQA-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-phenoxy-1-pyrrolidin-1-ylethanone (CID 910270) is 2-phenoxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-phenoxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-phenoxy-1-pyrrolidin-1-ylethanone is O=C(COc1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenoxy-1-pyrrolidin-1-ylethanone?
The InChIKey is FYNNGWZCHCSIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 2-phenoxy-1-pyrrolidin-1-ylethanone?
2-phenoxy-1-pyrrolidin-1-ylethanone has a molecular weight of 205.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 910270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).