2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol

C16H19NO — CID 19970125

IUPAC2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1(c2cccc3ccccc23)CCNC1
InChIInChI=1S/C16H19NO/c18-11-9-16(8-10-17-12-16)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,17-18H,8-12H2
InChIKeyRYNIENMGILGBHT-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol

2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol (PubChem CID 19970125) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol
PubChem CID19970125
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1(c2cccc3ccccc23)CCNC1
InChIInChI=1S/C16H19NO/c18-11-9-16(8-10-17-12-16)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,17-18H,8-12H2
InChIKeyRYNIENMGILGBHT-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol (CID 19970125) is 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol is OCCC1(c2cccc3ccccc23)CCNC1.
What is the InChIKey of 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol?
The InChIKey is RYNIENMGILGBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-11-9-16(8-10-17-12-16)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,17-18H,8-12H2.
What are the key properties of 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol?
2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol has a molecular weight of 241.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 19970125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).