6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C6H8N2 — CID 10441661

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1cn2c(n1)CCC2
InChIInChI=1S/C6H8N2/c1-2-6-7-3-5-8(6)4-1/h3,5H,1-2,4H2
InChIKeyZWETXQBHVRWLPW-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.83
Rot. Bonds

About 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 10441661) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID10441661
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESc1cn2c(n1)CCC2
InChIInChI=1S/C6H8N2/c1-2-6-7-3-5-8(6)4-1/h3,5H,1-2,4H2
InChIKeyZWETXQBHVRWLPW-UHFFFAOYSA-N
XLogP0.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Butyl-3-methylimidazolium chloride
CID 2734161
n-Propylimidazole
CID 118785
1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1-Methyl-3-propylimidazolium Iodide
CID 12971008
1,2-Dimethyl-3-propylimidazolium Iodide
CID 11459786
1-Butyl-2-methyl-1H-imidazole
CID 304622
1H-Imidazole, 1-ethenyl-2-methyl-
CID 76109
1-Butyl-3-methylimidazolium
CID 2734162
1-Butyl-2,3-dimethylimidazolium bromide
CID 2734241
1-Butyl-3-methylimidazolium Iodide
CID 11448496

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 10441661) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is c1cn2c(n1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is ZWETXQBHVRWLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-6-7-3-5-8(6)4-1/h3,5H,1-2,4H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 108.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 10441661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).