[4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide

C20H26N2O — CID 58197383

IUPAC[4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide
SMILESCOC1CCC2(CC1)Cc1ccc(CC(C)C)cc1/C2=N\C#N
InChIInChI=1S/C20H26N2O/c1-14(2)10-15-4-5-16-12-20(8-6-17(23-3)7-9-20)19(22-13-21)18(16)11-15/h4-5,11,14,17H,6-10,12H2,1-3H3/b22-19+
InChIKeyXEPMNSOBRSCLJP-ZBJSNUHESA-N
MW310.44 g/mol
LogP4.29
Rot. Bonds3

About [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide

[4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide (PubChem CID 58197383) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide.

Molecular Properties

Compound Name[4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide
PubChem CID58197383
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name[4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide
SMILESCOC1CCC2(CC1)Cc1ccc(CC(C)C)cc1/C2=N\C#N
InChIInChI=1S/C20H26N2O/c1-14(2)10-15-4-5-16-12-20(8-6-17(23-3)7-9-20)19(22-13-21)18(16)11-15/h4-5,11,14,17H,6-10,12H2,1-3H3/b22-19+
InChIKeyXEPMNSOBRSCLJP-ZBJSNUHESA-N
XLogP4.29
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide?
The IUPAC name of [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide (CID 58197383) is [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide.
What is the SMILES notation for [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide?
The canonical SMILES for [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide is COC1CCC2(CC1)Cc1ccc(CC(C)C)cc1/C2=N\C#N.
What is the InChIKey of [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide?
The InChIKey is XEPMNSOBRSCLJP-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H26N2O/c1-14(2)10-15-4-5-16-12-20(8-6-17(23-3)7-9-20)19(22-13-21)18(16)11-15/h4-5,11,14,17H,6-10,12H2,1-3H3/b22-19+.
What are the key properties of [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide?
[4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide has a molecular weight of 310.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4'-methoxy-6-(2-methylpropyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide is sourced from PubChem (CID 58197383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).