spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]

C11H16N2 — CID 89197238

IUPACspiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]
SMILESc1cn2c(n1)CCC21CCCCC1
InChIInChI=1S/C11H16N2/c1-2-5-11(6-3-1)7-4-10-12-8-9-13(10)11/h8-9H,1-7H2
InChIKeyPBSVPXHOZOWLCL-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.49
Rot. Bonds

About spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]

spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane] (PubChem CID 89197238) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane].

Molecular Properties

Compound Namespiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]
PubChem CID89197238
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Namespiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]
SMILESc1cn2c(n1)CCC21CCCCC1
InChIInChI=1S/C11H16N2/c1-2-5-11(6-3-1)7-4-10-12-8-9-13(10)11/h8-9H,1-7H2
InChIKeyPBSVPXHOZOWLCL-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]?
The IUPAC name of spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane] (CID 89197238) is spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane].
What is the SMILES notation for spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]?
The canonical SMILES for spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane] is c1cn2c(n1)CCC21CCCCC1.
What is the InChIKey of spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]?
The InChIKey is PBSVPXHOZOWLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-5-11(6-3-1)7-4-10-12-8-9-13(10)11/h8-9H,1-7H2.
What are the key properties of spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane]?
spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane] has a molecular weight of 176.26 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydropyrrolo[1,2-a]imidazole-5,1'-cyclohexane] is sourced from PubChem (CID 89197238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).