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

C21H26N2O — CID 58196997

IUPAC(6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCOC1CCC2(CC1)Cc1ccc(C3CCCC3)cc1/C2=N\C#N
InChIInChI=1S/C21H26N2O/c1-24-18-8-10-21(11-9-18)13-17-7-6-16(15-4-2-3-5-15)12-19(17)20(21)23-14-22/h6-7,12,15,18H,2-5,8-11,13H2,1H3/b23-20+
InChIKeyNDBGNDSSHKOPPG-BSYVCWPDSA-N
MW322.45 g/mol
LogP4.75
Rot. Bonds2

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

(6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (PubChem CID 58196997) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.

Molecular Properties

Compound Name(6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
PubChem CID58196997
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCOC1CCC2(CC1)Cc1ccc(C3CCCC3)cc1/C2=N\C#N
InChIInChI=1S/C21H26N2O/c1-24-18-8-10-21(11-9-18)13-17-7-6-16(15-4-2-3-5-15)12-19(17)20(21)23-14-22/h6-7,12,15,18H,2-5,8-11,13H2,1H3/b23-20+
InChIKeyNDBGNDSSHKOPPG-BSYVCWPDSA-N
XLogP4.75
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.75
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-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The IUPAC name of (6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (CID 58196997) is (6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.
What is the SMILES notation for (6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The canonical SMILES for (6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is COC1CCC2(CC1)Cc1ccc(C3CCCC3)cc1/C2=N\C#N.
What is the InChIKey of (6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The InChIKey is NDBGNDSSHKOPPG-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H26N2O/c1-24-18-8-10-21(11-9-18)13-17-7-6-16(15-4-2-3-5-15)12-19(17)20(21)23-14-22/h6-7,12,15,18H,2-5,8-11,13H2,1H3/b23-20+.
What are the key properties of (6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
(6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide has a molecular weight of 322.45 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is sourced from PubChem (CID 58196997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).