4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one

C10H13N3O2 — CID 112524397

IUPAC4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one
SMILESNc1nccn1C(=O)C1CCC(=O)CC1
InChIInChI=1S/C10H13N3O2/c11-10-12-5-6-13(10)9(15)7-1-3-8(14)4-2-7/h5-7H,1-4H2,(H2,11,12)
InChIKeyGWYKNVTVEMTJOZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.86
Rot. Bonds1

About 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one

4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one (PubChem CID 112524397) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one
PubChem CID112524397
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one
SMILESNc1nccn1C(=O)C1CCC(=O)CC1
InChIInChI=1S/C10H13N3O2/c11-10-12-5-6-13(10)9(15)7-1-3-8(14)4-2-7/h5-7H,1-4H2,(H2,11,12)
InChIKeyGWYKNVTVEMTJOZ-UHFFFAOYSA-N
XLogP0.86
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-aminopyrazole-1-carbonyl)cyclohexan-1-one
CID 112525017
4-(4-amino-3-methylpyrazole-1-carbonyl)cyclohexan-1-one
CID 112525127
4-(1,3-thiazolidine-3-carbonyl)cyclohexan-1-one
CID 122332121
4-(pyridine-2-carbonyl)cyclohexan-1-one
CID 116920313
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
[(2S)-5-oxopyrrolidin-2-yl] 2-methylimidazole-1-carboxylate
CID 153315339
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769
4-[di(pyrimidin-2-yl)amino]cyclohexan-1-one
CID 138676694
4-[4-[4-(4-oxocyclohexyl)cyclohexanecarbonyl]cyclohexyl]cyclohexan-1-one
CID 140670642
1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide
CID 21481192
6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-7-carboxylic acid
CID 126815797
N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150404

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one?
The IUPAC name of 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one (CID 112524397) is 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one is Nc1nccn1C(=O)C1CCC(=O)CC1.
What is the InChIKey of 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one?
The InChIKey is GWYKNVTVEMTJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10-12-5-6-13(10)9(15)7-1-3-8(14)4-2-7/h5-7H,1-4H2,(H2,11,12).
What are the key properties of 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one?
4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one has a molecular weight of 207.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoimidazole-1-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 112524397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).