1-ethyl-3-(oxiran-2-yl)pyrrolidine

C8H15NO — CID 102567830

IUPAC1-ethyl-3-(oxiran-2-yl)pyrrolidine
SMILESCCN1CCC(C2CO2)C1
InChIInChI=1S/C8H15NO/c1-2-9-4-3-7(5-9)8-6-10-8/h7-8H,2-6H2,1H3
InChIKeyUYUUVZXOMJIBAC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds2

About 1-ethyl-3-(oxiran-2-yl)pyrrolidine

1-ethyl-3-(oxiran-2-yl)pyrrolidine (PubChem CID 102567830) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-ethyl-3-(oxiran-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-(oxiran-2-yl)pyrrolidine
PubChem CID102567830
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-ethyl-3-(oxiran-2-yl)pyrrolidine
SMILESCCN1CCC(C2CO2)C1
InChIInChI=1S/C8H15NO/c1-2-9-4-3-7(5-9)8-6-10-8/h7-8H,2-6H2,1H3
InChIKeyUYUUVZXOMJIBAC-UHFFFAOYSA-N
XLogP0.73
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
ethane;1-ethyl-3-(1-methylazetidin-3-yl)pyrrolidine
CID 170581839
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887
6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-[1,4]dioxino[2,3-c]pyridine
CID 118641587
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170606863
(4aS,8aR)-7-ethyl-4,4a,5,6,8,8a-hexahydro-1H-pyrido[3,4-d][1,3]oxazin-2-one
CID 131081683
1-ethyl-4-(1-methylpiperidin-4-yl)piperidine
CID 70910959
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
6-(1-ethylpiperidin-3-yl)morpholin-3-one
CID 117159065
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(oxiran-2-yl)pyrrolidine?
The IUPAC name of 1-ethyl-3-(oxiran-2-yl)pyrrolidine (CID 102567830) is 1-ethyl-3-(oxiran-2-yl)pyrrolidine.
What is the SMILES notation for 1-ethyl-3-(oxiran-2-yl)pyrrolidine?
The canonical SMILES for 1-ethyl-3-(oxiran-2-yl)pyrrolidine is CCN1CCC(C2CO2)C1.
What is the InChIKey of 1-ethyl-3-(oxiran-2-yl)pyrrolidine?
The InChIKey is UYUUVZXOMJIBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-4-3-7(5-9)8-6-10-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethyl-3-(oxiran-2-yl)pyrrolidine?
1-ethyl-3-(oxiran-2-yl)pyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(oxiran-2-yl)pyrrolidine is sourced from PubChem (CID 102567830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).