5-pyrrolidin-3-yl-1H-imidazole

C7H11N3 — CID 19041233

IUPAC5-pyrrolidin-3-yl-1H-imidazole
SMILESc1ncc(C2CCNC2)[nH]1
InChIInChI=1S/C7H11N3/c1-2-8-3-6(1)7-4-9-5-10-7/h4-6,8H,1-3H2,(H,9,10)
InChIKeyYQRQZXURFZZPAX-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.49
Rot. Bonds1

About 5-pyrrolidin-3-yl-1H-imidazole

5-pyrrolidin-3-yl-1H-imidazole (PubChem CID 19041233) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1H-imidazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1H-imidazole
PubChem CID19041233
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-pyrrolidin-3-yl-1H-imidazole
SMILESc1ncc(C2CCNC2)[nH]1
InChIInChI=1S/C7H11N3/c1-2-8-3-6(1)7-4-9-5-10-7/h4-6,8H,1-3H2,(H,9,10)
InChIKeyYQRQZXURFZZPAX-UHFFFAOYSA-N
XLogP0.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1H-imidazole?
The IUPAC name of 5-pyrrolidin-3-yl-1H-imidazole (CID 19041233) is 5-pyrrolidin-3-yl-1H-imidazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-1H-imidazole?
The canonical SMILES for 5-pyrrolidin-3-yl-1H-imidazole is c1ncc(C2CCNC2)[nH]1.
What is the InChIKey of 5-pyrrolidin-3-yl-1H-imidazole?
The InChIKey is YQRQZXURFZZPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-8-3-6(1)7-4-9-5-10-7/h4-6,8H,1-3H2,(H,9,10).
What are the key properties of 5-pyrrolidin-3-yl-1H-imidazole?
5-pyrrolidin-3-yl-1H-imidazole has a molecular weight of 137.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-1H-imidazole is sourced from PubChem (CID 19041233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).