1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole

C5H11N3 — CID 70580916

IUPAC1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole
SMILESC1CC2NCNC2N1
InChIInChI=1S/C5H11N3/c1-2-6-5-4(1)7-3-8-5/h4-8H,1-3H2
InChIKeyPWOOHCDOXHSDJW-UHFFFAOYSA-N
MW113.16 g/mol
LogP-1.18
Rot. Bonds

About 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole

1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole (PubChem CID 70580916) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole.

Molecular Properties

Compound Name1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole
PubChem CID70580916
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole
SMILESC1CC2NCNC2N1
InChIInChI=1S/C5H11N3/c1-2-6-5-4(1)7-3-8-5/h4-8H,1-3H2
InChIKeyPWOOHCDOXHSDJW-UHFFFAOYSA-N
XLogP-1.18
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole?
The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole (CID 70580916) is 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole.
What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole?
The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole is C1CC2NCNC2N1.
What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole?
The InChIKey is PWOOHCDOXHSDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-2-6-5-4(1)7-3-8-5/h4-8H,1-3H2.
What are the key properties of 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole?
1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole has a molecular weight of 113.16 g/mol, XLogP of -1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-d]imidazole is sourced from PubChem (CID 70580916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).