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

C19H24N2O — CID 58197904

IUPAC(4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCCCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2
InChIInChI=1S/C19H24N2O/c1-3-4-14-5-6-15-12-19(9-7-16(22-2)8-10-19)18(21-13-20)17(15)11-14/h5-6,11,16H,3-4,7-10,12H2,1-2H3/b21-18+
InChIKeyWFYQVMOUUODAGW-DYTRJAOYSA-N
MW296.41 g/mol
LogP4.04
Rot. Bonds3

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

(4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (PubChem CID 58197904) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.

Molecular Properties

Compound Name(4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
PubChem CID58197904
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCCCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2
InChIInChI=1S/C19H24N2O/c1-3-4-14-5-6-15-12-19(9-7-16(22-2)8-10-19)18(21-13-20)17(15)11-14/h5-6,11,16H,3-4,7-10,12H2,1-2H3/b21-18+
InChIKeyWFYQVMOUUODAGW-DYTRJAOYSA-N
XLogP4.04
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.04
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-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The IUPAC name of (4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (CID 58197904) is (4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.
What is the SMILES notation for (4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The canonical SMILES for (4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is CCCc1ccc2c(c1)/C(=N\C#N)C1(CCC(OC)CC1)C2.
What is the InChIKey of (4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The InChIKey is WFYQVMOUUODAGW-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-4-14-5-6-15-12-19(9-7-16(22-2)8-10-19)18(21-13-20)17(15)11-14/h5-6,11,16H,3-4,7-10,12H2,1-2H3/b21-18+.
What are the key properties of (4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
(4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide has a molecular weight of 296.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'-methoxy-6-propylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is sourced from PubChem (CID 58197904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).