methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate

C35H40N4O6 — CID 134864697

About methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate

methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate (PubChem CID 134864697) has the molecular formula C35H40N4O6 and a molecular weight of 612.73 g/mol. Its IUPAC name is methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate.

Molecular Properties

• Compound Name: methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate
• PubChem CID: 134864697
• Molecular Formula: C35H40N4O6
• Molecular Weight: 612.73 g/mol
• Exact Mass: 612.29
• IUPAC Name: methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate
• SMILES: C=CC1=C(C)C(/C=c2\[nH]/c(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C/C)c(C)c3CCC(=O)OC)c(CCC(=O)OC)c2C)=NC1=O
• InChI: InChI=1S/C35H40N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,15-17,21,36-37H,2,11-14H2,1,3-8H3,(H,39,42)/b22-9+,26-15-,29-16-,30-17-/t21-/m1/s1
• InChIKey: SBYZRRSBNDZKJC-WAKKATKRSA-N
• XLogP: 3.32
• TPSA: 142.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.73
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate?

The IUPAC name of methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate (CID 134864697) is methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate.

What is the SMILES notation for methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate?

The canonical SMILES for methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate is C=CC1=C(C)C(/C=c2\[nH]/c(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)\C4=C/C)c(C)c3CCC(=O)OC)c(CCC(=O)OC)c2C)=NC1=O.

What is the InChIKey of methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate?

The InChIKey is SBYZRRSBNDZKJC-WAKKATKRSA-N. The full InChI is InChI=1S/C35H40N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,15-17,21,36-37H,2,11-14H2,1,3-8H3,(H,39,42)/b22-9+,26-15-,29-16-,30-17-/t21-/m1/s1.

What are the key properties of methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate?

methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate has a molecular weight of 612.73 g/mol, XLogP of 3.32, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[(2Z,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[[5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoate is sourced from PubChem (CID 134864697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).