(2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol

C9H19NO — CID 59273069

IUPAC(2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol
SMILESCC[C@]1(O)CCN[C@H]1C(C)C
InChIInChI=1S/C9H19NO/c1-4-9(11)5-6-10-8(9)7(2)3/h7-8,10-11H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyYZBZJNCLYAOUDG-IUCAKERBSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds2

About (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol

(2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol (PubChem CID 59273069) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol
PubChem CID59273069
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol
SMILESCC[C@]1(O)CCN[C@H]1C(C)C
InChIInChI=1S/C9H19NO/c1-4-9(11)5-6-10-8(9)7(2)3/h7-8,10-11H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKeyYZBZJNCLYAOUDG-IUCAKERBSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol (CID 59273069) is (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol is CC[C@]1(O)CCN[C@H]1C(C)C.
What is the InChIKey of (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol?
The InChIKey is YZBZJNCLYAOUDG-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(11)5-6-10-8(9)7(2)3/h7-8,10-11H,4-6H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol?
(2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-ethyl-2-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 59273069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).