5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole

C7H11N3 — CID 90940395

IUPAC5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole
SMILESC1=CN(C2CN=CN2)CC1
InChIInChI=1S/C7H11N3/c1-2-4-10(3-1)7-5-8-6-9-7/h1,3,6-7H,2,4-5H2,(H,8,9)
InChIKeyCJGIGNNTDYPFBA-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.16
Rot. Bonds1

About 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole

5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole (PubChem CID 90940395) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole
PubChem CID90940395
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole
SMILESC1=CN(C2CN=CN2)CC1
InChIInChI=1S/C7H11N3/c1-2-4-10(3-1)7-5-8-6-9-7/h1,3,6-7H,2,4-5H2,(H,8,9)
InChIKeyCJGIGNNTDYPFBA-UHFFFAOYSA-N
XLogP0.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole (CID 90940395) is 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole is C1=CN(C2CN=CN2)CC1.
What is the InChIKey of 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is CJGIGNNTDYPFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-4-10(3-1)7-5-8-6-9-7/h1,3,6-7H,2,4-5H2,(H,8,9).
What are the key properties of 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole?
5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 137.19 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydropyrrol-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90940395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).