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

C19H24N2O — CID 58197513

IUPAC(4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCOC1CCC2(CC1)Cc1ccc(C(C)C)cc1/C2=N\C#N
InChIInChI=1S/C19H24N2O/c1-13(2)14-4-5-15-11-19(8-6-16(22-3)7-9-19)18(21-12-20)17(15)10-14/h4-5,10,13,16H,6-9,11H2,1-3H3/b21-18+
InChIKeyNVKDCLNTOIZSFT-DYTRJAOYSA-N
MW296.41 g/mol
LogP4.21
Rot. Bonds2

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

(4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (PubChem CID 58197513) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.

Molecular Properties

Compound Name(4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
PubChem CID58197513
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
SMILESCOC1CCC2(CC1)Cc1ccc(C(C)C)cc1/C2=N\C#N
InChIInChI=1S/C19H24N2O/c1-13(2)14-4-5-15-11-19(8-6-16(22-3)7-9-19)18(21-12-20)17(15)10-14/h4-5,10,13,16H,6-9,11H2,1-3H3/b21-18+
InChIKeyNVKDCLNTOIZSFT-DYTRJAOYSA-N
XLogP4.21
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.21
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-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The IUPAC name of (4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide (CID 58197513) is (4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide.
What is the SMILES notation for (4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The canonical SMILES for (4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is COC1CCC2(CC1)Cc1ccc(C(C)C)cc1/C2=N\C#N.
What is the InChIKey of (4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
The InChIKey is NVKDCLNTOIZSFT-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-13(2)14-4-5-15-11-19(8-6-16(22-3)7-9-19)18(21-12-20)17(15)10-14/h4-5,10,13,16H,6-9,11H2,1-3H3/b21-18+.
What are the key properties of (4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide?
(4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide has a molecular weight of 296.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'-methoxy-6-propan-2-ylspiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide is sourced from PubChem (CID 58197513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).