[1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide

C23H24N2O2 — CID 58198287

IUPAC[1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide
SMILESCOc1cccc(-c2ccc3c(c2)/C(=N\C#N)C2(CCC(C)(O)CC2)C3)c1
InChIInChI=1S/C23H24N2O2/c1-22(26)8-10-23(11-9-22)14-18-7-6-17(13-20(18)21(23)25-15-24)16-4-3-5-19(12-16)27-2/h3-7,12-13,26H,8-11,14H2,1-2H3/b25-21+
InChIKeyNMUKHRHGBPXGPT-NJNXFGOHSA-N
MW360.46 g/mol
LogP4.50
Rot. Bonds2

About [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide

[1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide (PubChem CID 58198287) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide.

Molecular Properties

Compound Name[1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide
PubChem CID58198287
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide
SMILESCOc1cccc(-c2ccc3c(c2)/C(=N\C#N)C2(CCC(C)(O)CC2)C3)c1
InChIInChI=1S/C23H24N2O2/c1-22(26)8-10-23(11-9-22)14-18-7-6-17(13-20(18)21(23)25-15-24)16-4-3-5-19(12-16)27-2/h3-7,12-13,26H,8-11,14H2,1-2H3/b25-21+
InChIKeyNMUKHRHGBPXGPT-NJNXFGOHSA-N
XLogP4.50
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-methoxyphenyl)-3,3-dimethyl-2H-inden-1-ylidene]hydroxylamine
CID 173159216
1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 169408841
(4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
CID 58197513
[4'-methoxy-6-(2-phenylethyl)spiro[3H-indene-2,1'-cyclohexane]-1-ylidene]cyanamide
CID 58197803
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-(3-methoxyphenyl)benzonitrile
CID 4189594
2-[[4-(3-methoxyphenyl)anilino]methylidene]propanedinitrile
CID 168542114
3-[4-(3-methoxyphenyl)phenyl]piperidin-3-ol
CID 19424700
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277

Frequently Asked Questions

What is the IUPAC name of [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide?
The IUPAC name of [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide (CID 58198287) is [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide.
What is the SMILES notation for [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide?
The canonical SMILES for [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide is COc1cccc(-c2ccc3c(c2)/C(=N\C#N)C2(CCC(C)(O)CC2)C3)c1.
What is the InChIKey of [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide?
The InChIKey is NMUKHRHGBPXGPT-NJNXFGOHSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-22(26)8-10-23(11-9-22)14-18-7-6-17(13-20(18)21(23)25-15-24)16-4-3-5-19(12-16)27-2/h3-7,12-13,26H,8-11,14H2,1-2H3/b25-21+.
What are the key properties of [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide?
[1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide has a molecular weight of 360.46 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-hydroxy-6-(3-methoxyphenyl)-1'-methylspiro[3H-indene-2,4'-cyclohexane]-1-ylidene]cyanamide is sourced from PubChem (CID 58198287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).