(3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol

C16H19NO2 — CID 22826654

IUPAC(3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol
SMILESCCN1C[C@H](Oc2cccc3ccccc23)[C@@H](O)C1
InChIInChI=1S/C16H19NO2/c1-2-17-10-14(18)16(11-17)19-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,14,16,18H,2,10-11H2,1H3/t14-,16-/m0/s1
InChIKeyLVMACDSVFPQQER-HOCLYGCPSA-N
MW257.33 g/mol
LogP2.28
Rot. Bonds3

About (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol

(3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol (PubChem CID 22826654) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol
PubChem CID22826654
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol
SMILESCCN1C[C@H](Oc2cccc3ccccc23)[C@@H](O)C1
InChIInChI=1S/C16H19NO2/c1-2-17-10-14(18)16(11-17)19-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,14,16,18H,2,10-11H2,1H3/t14-,16-/m0/s1
InChIKeyLVMACDSVFPQQER-HOCLYGCPSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol (CID 22826654) is (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol is CCN1C[C@H](Oc2cccc3ccccc23)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol?
The InChIKey is LVMACDSVFPQQER-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-17-10-14(18)16(11-17)19-15-9-5-7-12-6-3-4-8-13(12)15/h3-9,14,16,18H,2,10-11H2,1H3/t14-,16-/m0/s1.
What are the key properties of (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol?
(3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol has a molecular weight of 257.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-ethyl-4-naphthalen-1-yloxypyrrolidin-3-ol is sourced from PubChem (CID 22826654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).