spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde

C12H16N2O — CID 130690308

IUPACspiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde
SMILESO=Cc1nc2c([nH]1)CCC21CCCCC1
InChIInChI=1S/C12H16N2O/c15-8-10-13-9-4-7-12(11(9)14-10)5-2-1-3-6-12/h8H,1-7H2,(H,13,14)
InChIKeyVBXZEEAHZJJLAR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.37
Rot. Bonds1

About spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde

spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde (PubChem CID 130690308) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde.

Molecular Properties

Compound Namespiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde
PubChem CID130690308
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Namespiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde
SMILESO=Cc1nc2c([nH]1)CCC21CCCCC1
InChIInChI=1S/C12H16N2O/c15-8-10-13-9-4-7-12(11(9)14-10)5-2-1-3-6-12/h8H,1-7H2,(H,13,14)
InChIKeyVBXZEEAHZJJLAR-UHFFFAOYSA-N
XLogP2.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde?
The IUPAC name of spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde (CID 130690308) is spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde.
What is the SMILES notation for spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde?
The canonical SMILES for spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde is O=Cc1nc2c([nH]1)CCC21CCCCC1.
What is the InChIKey of spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde?
The InChIKey is VBXZEEAHZJJLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-8-10-13-9-4-7-12(11(9)14-10)5-2-1-3-6-12/h8H,1-7H2,(H,13,14).
What are the key properties of spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde?
spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6-dihydro-1H-cyclopenta[d]imidazole-4,1'-cyclohexane]-2-carbaldehyde is sourced from PubChem (CID 130690308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).