(2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole

C25H32N2 — CID 134534060

About (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole

(2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole (PubChem CID 134534060) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole.

Molecular Properties

• Compound Name: (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole
• PubChem CID: 134534060
• Molecular Formula: C25H32N2
• Molecular Weight: 360.55 g/mol
• Exact Mass: 360.26
• IUPAC Name: (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole
• SMILES: C/C=C\c1[nH]c(/C=c2/c(/C=C\C)c(/C=C\C)n(C)/c2=C/C)c(C)c1/C=C\C
• InChI: InChI=1S/C25H32N2/c1-8-13-19-18(6)23(26-22(19)15-10-3)17-21-20(14-9-2)25(16-11-4)27(7)24(21)12-5/h8-17,26H,1-7H3/b13-8-,14-9-,15-10-,16-11-,21-17-,24-12+
• InChIKey: YMHZCCLUQSISDS-PKLXOGKFSA-N
• XLogP: 5.42
• TPSA: 20.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.55
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole?

The IUPAC name of (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole (CID 134534060) is (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole.

What is the SMILES notation for (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole?

The canonical SMILES for (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole is C/C=C\c1[nH]c(/C=c2/c(/C=C\C)c(/C=C\C)n(C)/c2=C/C)c(C)c1/C=C\C.

What is the InChIKey of (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole?

The InChIKey is YMHZCCLUQSISDS-PKLXOGKFSA-N. The full InChI is InChI=1S/C25H32N2/c1-8-13-19-18(6)23(26-22(19)15-10-3)17-21-20(14-9-2)25(16-11-4)27(7)24(21)12-5/h8-17,26H,1-7H3/b13-8-,14-9-,15-10-,16-11-,21-17-,24-12+.

What are the key properties of (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole?

(2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole has a molecular weight of 360.55 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,3Z)-2-ethylidene-1-methyl-3-[[3-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]methylidene]-4,5-bis[(Z)-prop-1-enyl]pyrrole is sourced from PubChem (CID 134534060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).