[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate

C29H26N2O5 — CID 89105009

About [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate

[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate (PubChem CID 89105009) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate.

Molecular Properties

• Compound Name: [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate
• PubChem CID: 89105009
• Molecular Formula: C29H26N2O5
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.18
• IUPAC Name: [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate
• SMILES: CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)/C(=N/OC(=O)C1CCCO1)CO3
• InChI: InChI=1S/C29H26N2O5/c1-3-31-23-12-10-18(27(32)19-8-5-4-7-17(19)2)15-21(23)26-24(31)13-11-20-22(16-35-28(20)26)30-36-29(33)25-9-6-14-34-25/h4-5,7-8,10-13,15,25H,3,6,9,14,16H2,1-2H3/b30-22+
• InChIKey: ORYIBJAHKPFCRC-JBASAIQMSA-N
• XLogP: 5.17
• TPSA: 79.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate?

The IUPAC name of [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate (CID 89105009) is [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate.

What is the SMILES notation for [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate?

The canonical SMILES for [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate is CCn1c2ccc(C(=O)c3ccccc3C)cc2c2c3c(ccc21)/C(=N/OC(=O)C1CCCO1)CO3.

What is the InChIKey of [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate?

The InChIKey is ORYIBJAHKPFCRC-JBASAIQMSA-N. The full InChI is InChI=1S/C29H26N2O5/c1-3-31-23-12-10-18(27(32)19-8-5-4-7-17(19)2)15-21(23)26-24(31)13-11-20-22(16-35-28(20)26)30-36-29(33)25-9-6-14-34-25/h4-5,7-8,10-13,15,25H,3,6,9,14,16H2,1-2H3/b30-22+.

What are the key properties of [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate?

[(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-[6-ethyl-9-(2-methylbenzoyl)furo[3,2-c]carbazol-3-ylidene]amino] oxolane-2-carboxylate is sourced from PubChem (CID 89105009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).