1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one

C16H21NO2 — CID 82132664

IUPAC1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO2/c18-16-6-3-9-17(16)10-11-19-15-8-7-13-4-1-2-5-14(13)12-15/h7-8,12H,1-6,9-11H2
InChIKeyCAGFMILVKZJWOM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one

1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one (PubChem CID 82132664) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
PubChem CID82132664
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO2/c18-16-6-3-9-17(16)10-11-19-15-8-7-13-4-1-2-5-14(13)12-15/h7-8,12H,1-6,9-11H2
InChIKeyCAGFMILVKZJWOM-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
CID 58748572
3-[2-(2-oxoazocan-1-yl)ethoxy]benzonitrile
CID 43289123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one (CID 82132664) is 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one?
The InChIKey is CAGFMILVKZJWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16-6-3-9-17(16)10-11-19-15-8-7-13-4-1-2-5-14(13)12-15/h7-8,12H,1-6,9-11H2.
What are the key properties of 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one?
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 82132664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).