(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine

C8H17N — CID 146922886

IUPAC(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
SMILESCCN1CC[C@H](C)[C@H]1C
InChIInChI=1S/C8H17N/c1-4-9-6-5-7(2)8(9)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyADNKGCOODYLHIF-JGVFFNPUSA-N
MW127.23 g/mol
LogP1.74
Rot. Bonds1

About (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine

(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine (PubChem CID 146922886) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
PubChem CID146922886
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
SMILESCCN1CC[C@H](C)[C@H]1C
InChIInChI=1S/C8H17N/c1-4-9-6-5-7(2)8(9)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyADNKGCOODYLHIF-JGVFFNPUSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine?
The IUPAC name of (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine (CID 146922886) is (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine.
What is the SMILES notation for (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine?
The canonical SMILES for (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine is CCN1CC[C@H](C)[C@H]1C.
What is the InChIKey of (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine?
The InChIKey is ADNKGCOODYLHIF-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17N/c1-4-9-6-5-7(2)8(9)3/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine?
(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-ethyl-2,3-dimethylpyrrolidine is sourced from PubChem (CID 146922886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).