3-ethylpyrrolidine

C6H13N — CID 12648195

IUPAC3-ethylpyrrolidine
SMILESCCC1CCNC1
InChIInChI=1S/C6H13N/c1-2-6-3-4-7-5-6/h6-7H,2-5H2,1H3
InChIKeyDZFFQSFNUBWNSF-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.01
Rot. Bonds1

About 3-ethylpyrrolidine

3-ethylpyrrolidine (PubChem CID 12648195) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 3-ethylpyrrolidine.

Molecular Properties

Compound Name3-ethylpyrrolidine
PubChem CID12648195
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name3-ethylpyrrolidine
SMILESCCC1CCNC1
InChIInChI=1S/C6H13N/c1-2-6-3-4-7-5-6/h6-7H,2-5H2,1H3
InChIKeyDZFFQSFNUBWNSF-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpyrrolidine?
The IUPAC name of 3-ethylpyrrolidine (CID 12648195) is 3-ethylpyrrolidine.
What is the SMILES notation for 3-ethylpyrrolidine?
The canonical SMILES for 3-ethylpyrrolidine is CCC1CCNC1.
What is the InChIKey of 3-ethylpyrrolidine?
The InChIKey is DZFFQSFNUBWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-2-6-3-4-7-5-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethylpyrrolidine?
3-ethylpyrrolidine has a molecular weight of 99.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyrrolidine is sourced from PubChem (CID 12648195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).