1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one

C17H23NO2 — CID 94698119

IUPAC1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCOc1cccc2c1CCCC2
InChIInChI=1S/C17H23NO2/c19-17-10-4-11-18(17)12-5-13-20-16-9-3-7-14-6-1-2-8-15(14)16/h3,7,9H,1-2,4-6,8,10-13H2
InChIKeyUVPFNPIOBUPWRN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.96
Rot. Bonds5

About 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one

1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one (PubChem CID 94698119) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one
PubChem CID94698119
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCOc1cccc2c1CCCC2
InChIInChI=1S/C17H23NO2/c19-17-10-4-11-18(17)12-5-13-20-16-9-3-7-14-6-1-2-8-15(14)16/h3,7,9H,1-2,4-6,8,10-13H2
InChIKeyUVPFNPIOBUPWRN-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[6-[3-(2-oxopyrrolidin-1-yl)propoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]butanoic acid
CID 135389932
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
1-[3-(4-chloro-2-methylphenoxy)propyl]pyrrolidin-2-one
CID 94695701
1-(3-anilinooxypropyl)pyrrolidin-2-one
CID 87356449
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720592
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
3-[3-(2-oxopiperidin-1-yl)propoxy]benzenecarbothioamide
CID 43290924

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one (CID 94698119) is 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one is O=C1CCCN1CCCOc1cccc2c1CCCC2.
What is the InChIKey of 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one?
The InChIKey is UVPFNPIOBUPWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17-10-4-11-18(17)12-5-13-20-16-9-3-7-14-6-1-2-8-15(14)16/h3,7,9H,1-2,4-6,8,10-13H2.
What are the key properties of 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one?
1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one is sourced from PubChem (CID 94698119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).