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

C11H15ClN2 — CID 134691329

IUPAC2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane]
SMILESClc1cn2c(n1)CC1(CCCCC1)C2
InChIInChI=1S/C11H15ClN2/c12-9-7-14-8-11(6-10(14)13-9)4-2-1-3-5-11/h7H,1-6,8H2
InChIKeyQUKWEILKMCIMBA-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.04
Rot. Bonds

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

2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane] (PubChem CID 134691329) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane].

Molecular Properties

Compound Name2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane]
PubChem CID134691329
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane]
SMILESClc1cn2c(n1)CC1(CCCCC1)C2
InChIInChI=1S/C11H15ClN2/c12-9-7-14-8-11(6-10(14)13-9)4-2-1-3-5-11/h7H,1-6,8H2
InChIKeyQUKWEILKMCIMBA-UHFFFAOYSA-N
XLogP3.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane]?
The IUPAC name of 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane] (CID 134691329) is 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane].
What is the SMILES notation for 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane]?
The canonical SMILES for 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane] is Clc1cn2c(n1)CC1(CCCCC1)C2.
What is the InChIKey of 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane]?
The InChIKey is QUKWEILKMCIMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-7-14-8-11(6-10(14)13-9)4-2-1-3-5-11/h7H,1-6,8H2.
What are the key properties of 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane]?
2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane] has a molecular weight of 210.71 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorospiro[5,7-dihydropyrrolo[1,2-a]imidazole-6,1'-cyclohexane] is sourced from PubChem (CID 134691329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).