5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate

C33H35N4O6- — CID 71571528

About 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate

5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate (PubChem CID 71571528) has the molecular formula C33H35N4O6- and a molecular weight of 583.67 g/mol. Its IUPAC name is 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate.

Molecular Properties

• Compound Name: 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate
• PubChem CID: 71571528
• Molecular Formula: C33H35N4O6-
• Molecular Weight: 583.67 g/mol
• Exact Mass: 583.26
• IUPAC Name: 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate
• SMILES: C=CC1=C(C)/C(=C/c2[nH]c(/C=c3/[nH]/c(=C\c4[nH]c([O-])c(C)c4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
• InChI: InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35,37,42H,1-2,9-12H2,3-6H3,(H,36,43)(H,38,39)(H,40,41)/p-1/b25-14-,26-13-,29-15+
• InChIKey: VFUXXUBAOYOSDQ-DRLOKYHFSA-M
• XLogP: 2.98
• TPSA: 174.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.67
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate?

The IUPAC name of 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate (CID 71571528) is 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate.

What is the SMILES notation for 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate?

The canonical SMILES for 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate is C=CC1=C(C)/C(=C/c2[nH]c(/C=c3/[nH]/c(=C\c4[nH]c([O-])c(C)c4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O.

What is the InChIKey of 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate?

The InChIKey is VFUXXUBAOYOSDQ-DRLOKYHFSA-M. The full InChI is InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35,37,42H,1-2,9-12H2,3-6H3,(H,36,43)(H,38,39)(H,40,41)/p-1/b25-14-,26-13-,29-15+.

What are the key properties of 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate?

5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate has a molecular weight of 583.67 g/mol, XLogP of 2.98, 11 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-[(5E)-4-(2-carboxyethyl)-5-[[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-olate is sourced from PubChem (CID 71571528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).