(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol

C16H33NO2 — CID 67340954

IUPAC(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol
SMILESCCCCCCCCCN1C[C@H](O)[C@H](O)[C@H]1CCC
InChIInChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-12-17-13-15(18)16(19)14(17)11-4-2/h14-16,18-19H,3-13H2,1-2H3/t14-,15+,16-/m1/s1
InChIKeyQUQJTNQWBGKEEL-OWCLPIDISA-N
MW271.44 g/mol
LogP2.94
Rot. Bonds10

About (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol

(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol (PubChem CID 67340954) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol
PubChem CID67340954
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol
SMILESCCCCCCCCCN1C[C@H](O)[C@H](O)[C@H]1CCC
InChIInChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-12-17-13-15(18)16(19)14(17)11-4-2/h14-16,18-19H,3-13H2,1-2H3/t14-,15+,16-/m1/s1
InChIKeyQUQJTNQWBGKEEL-OWCLPIDISA-N
XLogP2.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
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 (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol (CID 67340954) is (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol is CCCCCCCCCN1C[C@H](O)[C@H](O)[C@H]1CCC.
What is the InChIKey of (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol?
The InChIKey is QUQJTNQWBGKEEL-OWCLPIDISA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-12-17-13-15(18)16(19)14(17)11-4-2/h14-16,18-19H,3-13H2,1-2H3/t14-,15+,16-/m1/s1.
What are the key properties of (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol?
(2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol has a molecular weight of 271.44 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-1-nonyl-2-propylpyrrolidine-3,4-diol is sourced from PubChem (CID 67340954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).