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

C24H26N2O — CID 58197803

IUPAC[4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide
SMILESCOC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1/C2=N\C#N
InChIInChI=1S/C24H26N2O/c1-27-21-11-13-24(14-12-21)16-20-10-9-19(15-22(20)23(24)26-17-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,15,21H,7-8,11-14,16H2,1H3/b26-23+
InChIKeyZLYTXVRWPTVPQE-WNAAXNPUSA-N
MW358.49 g/mol
LogP4.87
Rot. Bonds4

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

[4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide (PubChem CID 58197803) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is [4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide.

Molecular Properties

Compound Name[4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide
PubChem CID58197803
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name[4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide
SMILESCOC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1/C2=N\C#N
InChIInChI=1S/C24H26N2O/c1-27-21-11-13-24(14-12-21)16-20-10-9-19(15-22(20)23(24)26-17-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,15,21H,7-8,11-14,16H2,1H3/b26-23+
InChIKeyZLYTXVRWPTVPQE-WNAAXNPUSA-N
XLogP4.87
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.87
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-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide?
The IUPAC name of [4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide (CID 58197803) is [4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide.
What is the SMILES notation for [4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide?
The canonical SMILES for [4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide is COC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1/C2=N\C#N.
What is the InChIKey of [4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide?
The InChIKey is ZLYTXVRWPTVPQE-WNAAXNPUSA-N. The full InChI is InChI=1S/C24H26N2O/c1-27-21-11-13-24(14-12-21)16-20-10-9-19(15-22(20)23(24)26-17-25)8-7-18-5-3-2-4-6-18/h2-6,9-10,15,21H,7-8,11-14,16H2,1H3/b26-23+.
What are the key properties of [4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide?
[4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide has a molecular weight of 358.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide is sourced from PubChem (CID 58197803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).