cyclohexyl(furan-2-ylmethylidene)azanium

C11H16NO+ — CID 102227537

IUPACcyclohexyl(furan-2-ylmethylidene)azanium
SMILESC(=[NH+]/C1CCCCC1)\c1ccco1
InChIInChI=1S/C11H15NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h4,7-10H,1-3,5-6H2/p+1/b12-9+
InChIKeyJJXUIVYSXQTYGH-FMIVXFBMSA-O
MW178.26 g/mol
LogP1.11
Rot. Bonds2

About cyclohexyl(furan-2-ylmethylidene)azanium

cyclohexyl(furan-2-ylmethylidene)azanium (PubChem CID 102227537) has the molecular formula C11H16NO+ and a molecular weight of 178.26 g/mol. Its IUPAC name is cyclohexyl(furan-2-ylmethylidene)azanium.

Molecular Properties

Compound Namecyclohexyl(furan-2-ylmethylidene)azanium
PubChem CID102227537
Molecular FormulaC11H16NO+
Molecular Weight178.26 g/mol
Exact Mass178.12
IUPAC Namecyclohexyl(furan-2-ylmethylidene)azanium
SMILESC(=[NH+]/C1CCCCC1)\c1ccco1
InChIInChI=1S/C11H15NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h4,7-10H,1-3,5-6H2/p+1/b12-9+
InChIKeyJJXUIVYSXQTYGH-FMIVXFBMSA-O
XLogP1.11
TPSA27.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

cyclohexanol;furan-2-carbaldehyde
CID 163769843
N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
CID 115865874
3-cyclooctylpyran-2-one
CID 22113990
2-[2-[5-[2-(furan-2-yl)ethenyl]oxolan-2-yl]ethenyl]furan
CID 123596794
2-[(Z)-2-chloroethenyl]furan
CID 11389398
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
3-[cyclohexyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid
CID 82326281
furan-2-carbaldehyde
CID 76972982
CID 58652123
CID 58652123
N-cycloheptyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
CID 126011096
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
(5Z)-1-cyclohexyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288276

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(furan-2-ylmethylidene)azanium?
The IUPAC name of cyclohexyl(furan-2-ylmethylidene)azanium (CID 102227537) is cyclohexyl(furan-2-ylmethylidene)azanium.
What is the SMILES notation for cyclohexyl(furan-2-ylmethylidene)azanium?
The canonical SMILES for cyclohexyl(furan-2-ylmethylidene)azanium is C(=[NH+]/C1CCCCC1)\c1ccco1.
What is the InChIKey of cyclohexyl(furan-2-ylmethylidene)azanium?
The InChIKey is JJXUIVYSXQTYGH-FMIVXFBMSA-O. The full InChI is InChI=1S/C11H15NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h4,7-10H,1-3,5-6H2/p+1/b12-9+.
What are the key properties of cyclohexyl(furan-2-ylmethylidene)azanium?
cyclohexyl(furan-2-ylmethylidene)azanium has a molecular weight of 178.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(furan-2-ylmethylidene)azanium is sourced from PubChem (CID 102227537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).