1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one

C18H21NO3 — CID 3076639

IUPAC1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOCC(O)c1cccc2ccccc12
InChIInChI=1S/C18H21NO3/c20-17(13-22-12-11-19-10-4-9-18(19)21)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,17,20H,4,9-13H2
InChIKeyBNPBWJIMLOPOQY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds6

About 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one

1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one (PubChem CID 3076639) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one
PubChem CID3076639
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOCC(O)c1cccc2ccccc12
InChIInChI=1S/C18H21NO3/c20-17(13-22-12-11-19-10-4-9-18(19)21)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,17,20H,4,9-13H2
InChIKeyBNPBWJIMLOPOQY-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one (CID 3076639) is 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one is O=C1CCCN1CCOCC(O)c1cccc2ccccc12.
What is the InChIKey of 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one?
The InChIKey is BNPBWJIMLOPOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-17(13-22-12-11-19-10-4-9-18(19)21)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,17,20H,4,9-13H2.
What are the key properties of 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one?
1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one has a molecular weight of 299.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 3076639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).