(2S,4R)-2-ethyl-4-propoxypyrrolidine

C9H19NO — CID 99994381

IUPAC(2S,4R)-2-ethyl-4-propoxypyrrolidine
SMILESCCCO[C@H]1CN[C@@H](CC)C1
InChIInChI=1S/C9H19NO/c1-3-5-11-9-6-8(4-2)10-7-9/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyGWUPLRCUNVMURF-DTWKUNHWSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds4

About (2S,4R)-2-ethyl-4-propoxypyrrolidine

(2S,4R)-2-ethyl-4-propoxypyrrolidine (PubChem CID 99994381) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,4R)-2-ethyl-4-propoxypyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2-ethyl-4-propoxypyrrolidine
PubChem CID99994381
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,4R)-2-ethyl-4-propoxypyrrolidine
SMILESCCCO[C@H]1CN[C@@H](CC)C1
InChIInChI=1S/C9H19NO/c1-3-5-11-9-6-8(4-2)10-7-9/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyGWUPLRCUNVMURF-DTWKUNHWSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-2-ethyl-4-propoxypyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
CID 99994845
4-butoxy-2-propylpyrrolidine
CID 102568603
(2R,4S)-4-butoxy-2-butylpyrrolidine
CID 99994485
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
CID 155531919
(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid
CID 45116070
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol;hydrochloride
CID 155531918
(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
CID 71204325
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine
CID 99994354
(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
CID 99994645

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-ethyl-4-propoxypyrrolidine?
The IUPAC name of (2S,4R)-2-ethyl-4-propoxypyrrolidine (CID 99994381) is (2S,4R)-2-ethyl-4-propoxypyrrolidine.
What is the SMILES notation for (2S,4R)-2-ethyl-4-propoxypyrrolidine?
The canonical SMILES for (2S,4R)-2-ethyl-4-propoxypyrrolidine is CCCO[C@H]1CN[C@@H](CC)C1.
What is the InChIKey of (2S,4R)-2-ethyl-4-propoxypyrrolidine?
The InChIKey is GWUPLRCUNVMURF-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-11-9-6-8(4-2)10-7-9/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2S,4R)-2-ethyl-4-propoxypyrrolidine?
(2S,4R)-2-ethyl-4-propoxypyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-ethyl-4-propoxypyrrolidine is sourced from PubChem (CID 99994381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).