(2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole

C26H37N3O — CID 135802867

About (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole

(2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 135802867) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

• Compound Name: (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
• PubChem CID: 135802867
• Molecular Formula: C26H37N3O
• Molecular Weight: 407.60 g/mol
• Exact Mass: 407.29
• IUPAC Name: (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
• SMILES: CCCCCCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1
• InChI: InChI=1S/C26H37N3O/c1-3-4-5-6-7-8-9-10-11-12-14-21-16-17-22(28-21)19-25-26(30-2)20-24(29-25)23-15-13-18-27-23/h13,15-20,27-28H,3-12,14H2,1-2H3/b25-19-
• InChIKey: WQAMPZQXTRAWMO-PLRJNAJWSA-N
• XLogP: 7.18
• TPSA: 53.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.60
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole?

The IUPAC name of (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole (CID 135802867) is (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole.

What is the SMILES notation for (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole?

The canonical SMILES for (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole is CCCCCCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1.

What is the InChIKey of (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole?

The InChIKey is WQAMPZQXTRAWMO-PLRJNAJWSA-N. The full InChI is InChI=1S/C26H37N3O/c1-3-4-5-6-7-8-9-10-11-12-14-21-16-17-22(28-21)19-25-26(30-2)20-24(29-25)23-15-13-18-27-23/h13,15-20,27-28H,3-12,14H2,1-2H3/b25-19-.

What are the key properties of (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole?

(2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 407.60 g/mol, XLogP of 7.18, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 135802867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).