(3S)-3-ethoxypyrrolidine

C6H13NO — CID 11116030

IUPAC(3S)-3-ethoxypyrrolidine
SMILESCCO[C@H]1CCNC1
InChIInChI=1S/C6H13NO/c1-2-8-6-3-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyKEBOYHJEUFJZPE-LURJTMIESA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds2

About (3S)-3-ethoxypyrrolidine

(3S)-3-ethoxypyrrolidine (PubChem CID 11116030) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (3S)-3-ethoxypyrrolidine.

Molecular Properties

Compound Name(3S)-3-ethoxypyrrolidine
PubChem CID11116030
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(3S)-3-ethoxypyrrolidine
SMILESCCO[C@H]1CCNC1
InChIInChI=1S/C6H13NO/c1-2-8-6-3-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyKEBOYHJEUFJZPE-LURJTMIESA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxypyrrolidine
CID 21333172
ethane;3-ethoxypyrrolidine
CID 142624915
2,2-dimethylpropanoic acid;(3R)-3-ethoxypyrrolidine
CID 174626759
(3R)-3-propoxypyrrolidine;hydrochloride
CID 138393556
3-ethoxyazetidine
CID 22507733
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
(3R)-3-(2-propoxyethoxy)pyrrolidine
CID 86322695
N,N-diethyl-2-pyrrolidin-3-yloxyacetamide
CID 62327394
N-ethyl-N-methyl-2-pyrrolidin-3-yloxyacetamide
CID 62327910
(3S)-3-prop-2-enoxypyrrolidine
CID 26191822
(3R)-3-(4-methylpentoxy)pyrrolidine
CID 115460364
(3R)-3-(2-cyclopropylethoxy)pyrrolidine
CID 97000060

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxypyrrolidine?
The IUPAC name of (3S)-3-ethoxypyrrolidine (CID 11116030) is (3S)-3-ethoxypyrrolidine.
What is the SMILES notation for (3S)-3-ethoxypyrrolidine?
The canonical SMILES for (3S)-3-ethoxypyrrolidine is CCO[C@H]1CCNC1.
What is the InChIKey of (3S)-3-ethoxypyrrolidine?
The InChIKey is KEBOYHJEUFJZPE-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO/c1-2-8-6-3-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-ethoxypyrrolidine?
(3S)-3-ethoxypyrrolidine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxypyrrolidine is sourced from PubChem (CID 11116030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).