(3S)-3-[(1S)-1-methoxyethyl]pyrrolidine

C7H15NO — CID 59544004

IUPAC(3S)-3-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCO[C@@H](C)[C@H]1CCNC1
InChIInChI=1S/C7H15NO/c1-6(9-2)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyGFGMAERVBBUWCC-BQBZGAKWSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds2

About (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine

(3S)-3-[(1S)-1-methoxyethyl]pyrrolidine (PubChem CID 59544004) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-methoxyethyl]pyrrolidine
PubChem CID59544004
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-3-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCO[C@@H](C)[C@H]1CCNC1
InChIInChI=1S/C7H15NO/c1-6(9-2)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyGFGMAERVBBUWCC-BQBZGAKWSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine (CID 59544004) is (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine is CO[C@@H](C)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine?
The InChIKey is GFGMAERVBBUWCC-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(9-2)7-3-4-8-5-7/h6-8H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine?
(3S)-3-[(1S)-1-methoxyethyl]pyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-methoxyethyl]pyrrolidine is sourced from PubChem (CID 59544004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).