2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole

C6H12N2 — CID 15167621

IUPAC2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole
SMILESC1CC2NCCN2C1
InChIInChI=1S/C6H12N2/c1-2-6-7-3-5-8(6)4-1/h6-7H,1-5H2
InChIKeyLFVLFBIZLPMDPR-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.01
Rot. Bonds

About 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole

2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole (PubChem CID 15167621) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole
PubChem CID15167621
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole
SMILESC1CC2NCCN2C1
InChIInChI=1S/C6H12N2/c1-2-6-7-3-5-8(6)4-1/h6-7H,1-5H2
InChIKeyLFVLFBIZLPMDPR-UHFFFAOYSA-N
XLogP0.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole (CID 15167621) is 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole is C1CC2NCCN2C1.
What is the InChIKey of 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole?
The InChIKey is LFVLFBIZLPMDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-6-7-3-5-8(6)4-1/h6-7H,1-5H2.
What are the key properties of 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole?
2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole has a molecular weight of 112.18 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,7a-hexahydro-1H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 15167621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).