(3S)-3-(2-propoxyethoxymethyl)pyrrolidine

C10H21NO2 — CID 86320893

IUPAC(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
SMILESCCCOCCOC[C@H]1CCNC1
InChIInChI=1S/C10H21NO2/c1-2-5-12-6-7-13-9-10-3-4-11-8-10/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyKKGAIIRVIFOAMO-JTQLQIEISA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds7

About (3S)-3-(2-propoxyethoxymethyl)pyrrolidine

(3S)-3-(2-propoxyethoxymethyl)pyrrolidine (PubChem CID 86320893) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3S)-3-(2-propoxyethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
PubChem CID86320893
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
SMILESCCCOCCOC[C@H]1CCNC1
InChIInChI=1S/C10H21NO2/c1-2-5-12-6-7-13-9-10-3-4-11-8-10/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyKKGAIIRVIFOAMO-JTQLQIEISA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Ethyltetrahydro-3-furanmethanamine
CID 22355252
3-(Methoxymethyl)pyrrolidine
CID 22993433
3-(Ethoxymethyl)pyrrolidine
CID 45075569
3-[(2-Methoxyethoxy)methyl]pyrrolidine
CID 54595863
(3R)-3-(1-fluoroethoxymethyl)pyrrolidine
CID 177026365
3-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]pyrrolidine
CID 62372637
3-[2-(Trifluoromethoxy)ethoxymethyl]pyrrolidine
CID 65804341
3-fluoro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 81106211
3-(3-Fluoropropoxymethyl)pyrrolidine
CID 81114703
3-(3,3-Difluorobutoxymethyl)pyrrolidine
CID 84664735
3-Fluoro-3-(propoxymethyl)pyrrolidine
CID 112564268
(3R)-3-fluoro-3-(2-methoxyethoxymethyl)pyrrolidine
CID 125501270

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-propoxyethoxymethyl)pyrrolidine?
The IUPAC name of (3S)-3-(2-propoxyethoxymethyl)pyrrolidine (CID 86320893) is (3S)-3-(2-propoxyethoxymethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(2-propoxyethoxymethyl)pyrrolidine?
The canonical SMILES for (3S)-3-(2-propoxyethoxymethyl)pyrrolidine is CCCOCCOC[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(2-propoxyethoxymethyl)pyrrolidine?
The InChIKey is KKGAIIRVIFOAMO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-5-12-6-7-13-9-10-3-4-11-8-10/h10-11H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-(2-propoxyethoxymethyl)pyrrolidine?
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-propoxyethoxymethyl)pyrrolidine is sourced from PubChem (CID 86320893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).