(2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol

C9H17NO — CID 59273036

IUPAC(2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol
SMILESCC[C@@H]1NCC[C@@]1(O)C1CC1
InChIInChI=1S/C9H17NO/c1-2-8-9(11,5-6-10-8)7-3-4-7/h7-8,10-11H,2-6H2,1H3/t8-,9+/m0/s1
InChIKeyMMAYBDLXMMRPJH-DTWKUNHWSA-N
MW155.24 g/mol
LogP0.90
Rot. Bonds2

About (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol

(2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol (PubChem CID 59273036) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol
PubChem CID59273036
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol
SMILESCC[C@@H]1NCC[C@@]1(O)C1CC1
InChIInChI=1S/C9H17NO/c1-2-8-9(11,5-6-10-8)7-3-4-7/h7-8,10-11H,2-6H2,1H3/t8-,9+/m0/s1
InChIKeyMMAYBDLXMMRPJH-DTWKUNHWSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclopropylpyrrolidin-3-ol
CID 64982945
1-(2-Ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol
CID 171827118
3-[(2S)-pyrrolidin-2-yl]pentan-3-ol
CID 10534938
4-Ethyl-3-methylpyrrolidin-3-ol
CID 13523284
(2S,3S)-3-(1-hydroxy-1-methylethyl)-2-methylpyrrolidine
CID 55299039
3-(2-Aminobutan-2-yl)pyrrolidin-3-ol
CID 57157135
2-[(2S,3S)-1-methanidyl-2-methylpyrrolidin-1-ium-3-yl]propan-2-ol
CID 59130927
(2S,3R)-3-cyclopropyl-2-isopropylpyrrolidin-3-ol
CID 59273011
(2S,3S)-2-methyl-3-propylpyrrolidin-3-ol
CID 59273025
(2S,3S)-2-isopropyl-3-methylpyrrolidin-3-ol
CID 59273040
(2S,3S)-2,3-diethylpyrrolidin-3-ol
CID 59273053
(2S,3S)-3-ethyl-2-isopropylpyrrolidin-3-ol
CID 59273069

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol?
The IUPAC name of (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol (CID 59273036) is (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol is CC[C@@H]1NCC[C@@]1(O)C1CC1.
What is the InChIKey of (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol?
The InChIKey is MMAYBDLXMMRPJH-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8-9(11,5-6-10-8)7-3-4-7/h7-8,10-11H,2-6H2,1H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol?
(2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-cyclopropyl-2-ethylpyrrolidin-3-ol is sourced from PubChem (CID 59273036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).