5-(2-ethylpyrrolidin-3-yl)-1H-imidazole

C9H15N3 — CID 86170583

IUPAC5-(2-ethylpyrrolidin-3-yl)-1H-imidazole
SMILESCCC1NCCC1c1cnc[nH]1
InChIInChI=1S/C9H15N3/c1-2-8-7(3-4-11-8)9-5-10-6-12-9/h5-8,11H,2-4H2,1H3,(H,10,12)
InChIKeyJJFQHOLRCLDQSB-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.27
Rot. Bonds2

About 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole

5-(2-ethylpyrrolidin-3-yl)-1H-imidazole (PubChem CID 86170583) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-3-yl)-1H-imidazole
PubChem CID86170583
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-(2-ethylpyrrolidin-3-yl)-1H-imidazole
SMILESCCC1NCCC1c1cnc[nH]1
InChIInChI=1S/C9H15N3/c1-2-8-7(3-4-11-8)9-5-10-6-12-9/h5-8,11H,2-4H2,1H3,(H,10,12)
InChIKeyJJFQHOLRCLDQSB-UHFFFAOYSA-N
XLogP1.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole?
The IUPAC name of 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole (CID 86170583) is 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole is CCC1NCCC1c1cnc[nH]1.
What is the InChIKey of 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole?
The InChIKey is JJFQHOLRCLDQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-8-7(3-4-11-8)9-5-10-6-12-9/h5-8,11H,2-4H2,1H3,(H,10,12).
What are the key properties of 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole?
5-(2-ethylpyrrolidin-3-yl)-1H-imidazole has a molecular weight of 165.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-3-yl)-1H-imidazole is sourced from PubChem (CID 86170583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).