3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione

C30H26N2O3 — CID 76826435

About 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione

3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 76826435) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
• PubChem CID: 76826435
• Molecular Formula: C30H26N2O3
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.19
• IUPAC Name: 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione
• SMILES: O=C1OC(=Cc2ccc3c(c2)c2ccccc2n3-c2ccccc2)C(=O)N1CCC1=CCCCC1
• InChI: InChI=1S/C30H26N2O3/c33-29-28(35-30(34)31(29)18-17-21-9-3-1-4-10-21)20-22-15-16-27-25(19-22)24-13-7-8-14-26(24)32(27)23-11-5-2-6-12-23/h2,5-9,11-16,19-20H,1,3-4,10,17-18H2
• InChIKey: LHDHNGNBRMGBDQ-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 51.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?

The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione (CID 76826435) is 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione is O=C1OC(=Cc2ccc3c(c2)c2ccccc2n3-c2ccccc2)C(=O)N1CCC1=CCCCC1.

What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?

The InChIKey is LHDHNGNBRMGBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3/c33-29-28(35-30(34)31(29)18-17-21-9-3-1-4-10-21)20-22-15-16-27-25(19-22)24-13-7-8-14-26(24)32(27)23-11-5-2-6-12-23/h2,5-9,11-16,19-20H,1,3-4,10,17-18H2.

What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione?

3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 462.55 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(cyclohexen-1-yl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 76826435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).