2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone

C16H17NO2 — CID 875060

IUPAC2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C16H17NO2/c18-16(17-9-3-4-10-17)12-19-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyVESTZWPORMMFHY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.84
Rot. Bonds3

About 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone

2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone (PubChem CID 875060) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone
PubChem CID875060
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C16H17NO2/c18-16(17-9-3-4-10-17)12-19-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyVESTZWPORMMFHY-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone (CID 875060) is 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone is O=C(COc1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone?
The InChIKey is VESTZWPORMMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(17-9-3-4-10-17)12-19-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2.
What are the key properties of 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone?
2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone has a molecular weight of 255.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 875060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).