1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole

C13H21N3 — CID 114722181

IUPAC1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole
SMILESCCC1(n2cncc2C2CCNC2)CCC1
InChIInChI=1S/C13H21N3/c1-2-13(5-3-6-13)16-10-15-9-12(16)11-4-7-14-8-11/h9-11,14H,2-8H2,1H3
InChIKeyNVOUVDXBZBJOFH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.25
Rot. Bonds3

About 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole

1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114722181) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114722181
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole
SMILESCCC1(n2cncc2C2CCNC2)CCC1
InChIInChI=1S/C13H21N3/c1-2-13(5-3-6-13)16-10-15-9-12(16)11-4-7-14-8-11/h9-11,14H,2-8H2,1H3
InChIKeyNVOUVDXBZBJOFH-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole (CID 114722181) is 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole is CCC1(n2cncc2C2CCNC2)CCC1.
What is the InChIKey of 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is NVOUVDXBZBJOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-13(5-3-6-13)16-10-15-9-12(16)11-4-7-14-8-11/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole?
1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 219.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclobutyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114722181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).