(2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide

C25H37NO2 — CID 178046305

About (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide

(2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide (PubChem CID 178046305) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide.

Molecular Properties

• Compound Name: (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide
• PubChem CID: 178046305
• Molecular Formula: C25H37NO2
• Molecular Weight: 383.58 g/mol
• Exact Mass: 383.28
• IUPAC Name: (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide
• SMILES: CC(/C=C/C(=O)NO)=C\CC1CCC2/C(=C/C=C3CCCCC3)CCC[C@]12C
• InChI: InChI=1S/C25H37NO2/c1-19(11-17-24(27)26-28)10-14-22-15-16-23-21(9-6-18-25(22,23)2)13-12-20-7-4-3-5-8-20/h10-13,17,22-23,28H,3-9,14-16,18H2,1-2H3,(H,26,27)/b17-11+,19-10+,21-13+/t22?,23?,25-/m1/s1
• InChIKey: QUBOIOCVOCRJFF-OLOMETJVSA-N
• XLogP: 6.42
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.58
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide?

The IUPAC name of (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide (CID 178046305) is (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide.

What is the SMILES notation for (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide?

The canonical SMILES for (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide is CC(/C=C/C(=O)NO)=C\CC1CCC2/C(=C/C=C3CCCCC3)CCC[C@]12C.

What is the InChIKey of (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide?

The InChIKey is QUBOIOCVOCRJFF-OLOMETJVSA-N. The full InChI is InChI=1S/C25H37NO2/c1-19(11-17-24(27)26-28)10-14-22-15-16-23-21(9-6-18-25(22,23)2)13-12-20-7-4-3-5-8-20/h10-13,17,22-23,28H,3-9,14-16,18H2,1-2H3,(H,26,27)/b17-11+,19-10+,21-13+/t22?,23?,25-/m1/s1.

What are the key properties of (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide?

(2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide has a molecular weight of 383.58 g/mol, XLogP of 6.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-6-[(4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-hydroxy-4-methylhexa-2,4-dienamide is sourced from PubChem (CID 178046305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).