(2S,4S)-4-ethoxy-2-propylpyrrolidine

C9H19NO — CID 99994308

IUPAC(2S,4S)-4-ethoxy-2-propylpyrrolidine
SMILESCCC[C@H]1C[C@H](OCC)CN1
InChIInChI=1S/C9H19NO/c1-3-5-8-6-9(7-10-8)11-4-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyREJAAAJOSGOJOY-IUCAKERBSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds4

About (2S,4S)-4-ethoxy-2-propylpyrrolidine

(2S,4S)-4-ethoxy-2-propylpyrrolidine (PubChem CID 99994308) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,4S)-4-ethoxy-2-propylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-ethoxy-2-propylpyrrolidine
PubChem CID99994308
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,4S)-4-ethoxy-2-propylpyrrolidine
SMILESCCC[C@H]1C[C@H](OCC)CN1
InChIInChI=1S/C9H19NO/c1-3-5-8-6-9(7-10-8)11-4-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyREJAAAJOSGOJOY-IUCAKERBSA-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,4S)-4-ethoxy-2-propylpyrrolidine 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,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
4-butoxy-2-propylpyrrolidine
CID 102568603
(2R,4S)-4-ethoxy-2-(2-methylpropyl)pyrrolidine
CID 99994354
(2R,4S)-4-butoxy-2-butylpyrrolidine
CID 99994485
(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
CID 99994645
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
ethane;4-methyl-2-propylpyrrolidine
CID 170743275
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
3-ethoxyazetidine
CID 22507733
2-propylaziridine
CID 544792
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
CID 165444188

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-ethoxy-2-propylpyrrolidine?
The IUPAC name of (2S,4S)-4-ethoxy-2-propylpyrrolidine (CID 99994308) is (2S,4S)-4-ethoxy-2-propylpyrrolidine.
What is the SMILES notation for (2S,4S)-4-ethoxy-2-propylpyrrolidine?
The canonical SMILES for (2S,4S)-4-ethoxy-2-propylpyrrolidine is CCC[C@H]1C[C@H](OCC)CN1.
What is the InChIKey of (2S,4S)-4-ethoxy-2-propylpyrrolidine?
The InChIKey is REJAAAJOSGOJOY-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-8-6-9(7-10-8)11-4-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-4-ethoxy-2-propylpyrrolidine?
(2S,4S)-4-ethoxy-2-propylpyrrolidine 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,4S)-4-ethoxy-2-propylpyrrolidine is sourced from PubChem (CID 99994308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).