(4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide

C23H27N4OP — CID 2317389

About (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide

(4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide (PubChem CID 2317389) has the molecular formula C23H27N4OP and a molecular weight of 406.47 g/mol. Its IUPAC name is (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide.

Molecular Properties

• Compound Name: (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide
• PubChem CID: 2317389
• Molecular Formula: C23H27N4OP
• Molecular Weight: 406.47 g/mol
• Exact Mass: 406.19
• IUPAC Name: (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide
• SMILES: CN1/C(=C2/C=NN(c3ccccc3)P2(=O)N2CCCC2)C(C)(C)c2ccccc21
• InChI: InChI=1S/C23H27N4OP/c1-23(2)19-13-7-8-14-20(19)25(3)22(23)21-17-24-27(18-11-5-4-6-12-18)29(21,28)26-15-9-10-16-26/h4-8,11-14,17H,9-10,15-16H2,1-3H3/b22-21-
• InChIKey: ZAICYCXECGCHEE-DQRAZIAOSA-N
• XLogP: 5.42
• TPSA: 39.15 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.47
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide?

The IUPAC name of (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide (CID 2317389) is (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide.

What is the SMILES notation for (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide?

The canonical SMILES for (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide is CN1/C(=C2/C=NN(c3ccccc3)P2(=O)N2CCCC2)C(C)(C)c2ccccc21.

What is the InChIKey of (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide?

The InChIKey is ZAICYCXECGCHEE-DQRAZIAOSA-N. The full InChI is InChI=1S/C23H27N4OP/c1-23(2)19-13-7-8-14-20(19)25(3)22(23)21-17-24-27(18-11-5-4-6-12-18)29(21,28)26-15-9-10-16-26/h4-8,11-14,17H,9-10,15-16H2,1-3H3/b22-21-.

What are the key properties of (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide?

(4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide has a molecular weight of 406.47 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-2-phenyl-3-pyrrolidin-1-yl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3lambda5-diazaphosphole 3-oxide is sourced from PubChem (CID 2317389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).