6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane

C9H13N3 — CID 170973750

IUPAC6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane
SMILESc1c[nH]c(C2CC3(CNC3)C2)n1
InChIInChI=1S/C9H13N3/c1-2-12-8(11-1)7-3-9(4-7)5-10-6-9/h1-2,7,10H,3-6H2,(H,11,12)
InChIKeyBGARMYSAHXKSMZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.88
Rot. Bonds1

About 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane

6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane (PubChem CID 170973750) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane
PubChem CID170973750
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane
SMILESc1c[nH]c(C2CC3(CNC3)C2)n1
InChIInChI=1S/C9H13N3/c1-2-12-8(11-1)7-3-9(4-7)5-10-6-9/h1-2,7,10H,3-6H2,(H,11,12)
InChIKeyBGARMYSAHXKSMZ-UHFFFAOYSA-N
XLogP0.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane (CID 170973750) is 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane is c1c[nH]c(C2CC3(CNC3)C2)n1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane?
The InChIKey is BGARMYSAHXKSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-12-8(11-1)7-3-9(4-7)5-10-6-9/h1-2,7,10H,3-6H2,(H,11,12).
What are the key properties of 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane?
6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane has a molecular weight of 163.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 170973750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).