(6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide

C18H22N2O — CID 58197391

IUPAC(6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2
InChIInChI=1S/C18H22N2O/c1-3-13-4-5-14-11-18(8-6-15(21-2)7-9-18)17(20-12-19)16(14)10-13/h4-5,10,15H,3,6-9,11H2,1-2H3/b20-17+
InChIKeyUAWVFVTUNQRCPG-LVZFUZTISA-N
MW282.39 g/mol
LogP3.65
Rot. Bonds2

About (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide

(6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (PubChem CID 58197391) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.

Molecular Properties

Compound Name(6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
PubChem CID58197391
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2
InChIInChI=1S/C18H22N2O/c1-3-13-4-5-14-11-18(8-6-15(21-2)7-9-18)17(20-12-19)16(14)10-13/h4-5,10,15H,3,6-9,11H2,1-2H3/b20-17+
InChIKeyUAWVFVTUNQRCPG-LVZFUZTISA-N
XLogP3.65
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.65
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 (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The IUPAC name of (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (CID 58197391) is (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.
What is the SMILES notation for (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The canonical SMILES for (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is CCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2.
What is the InChIKey of (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The InChIKey is UAWVFVTUNQRCPG-LVZFUZTISA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-13-4-5-14-11-18(8-6-15(21-2)7-9-18)17(20-12-19)16(14)10-13/h4-5,10,15H,3,6-9,11H2,1-2H3/b20-17+.
What are the key properties of (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
(6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide has a molecular weight of 282.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is sourced from PubChem (CID 58197391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).