methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate

C34H38N4O4 — CID 174144554

IUPACmethyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
SMILESC=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)OC)c(CCC)c2C)=NC1=O
InChIInChI=1S/C34H38N4O4/c1-9-12-24-19(5)26(15-28-18(4)23(11-3)34(41)37-28)35-30(24)17-31-25(13-14-32(39)42-8)20(6)27(36-31)16-29-22(10-2)21(7)33(40)38-29/h10-11,15-17,35-36H,2-3,9,12-14H2,1,4-8H3,(H,38,40)/b26-15?,29-16-,30-17?
InChIKeyHKVGYVTWXOKPCM-YUUIDLQXSA-N
MW566.70 g/mol
LogP4.08
Rot. Bonds10

About methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate

methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate (PubChem CID 174144554) has the molecular formula C34H38N4O4 and a molecular weight of 566.70 g/mol. Its IUPAC name is methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
PubChem CID174144554
Molecular FormulaC34H38N4O4
Molecular Weight566.70 g/mol
Exact Mass566.29
IUPAC Namemethyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
SMILESC=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)OC)c(CCC)c2C)=NC1=O
InChIInChI=1S/C34H38N4O4/c1-9-12-24-19(5)26(15-28-18(4)23(11-3)34(41)37-28)35-30(24)17-31-25(13-14-32(39)42-8)20(6)27(36-31)16-29-22(10-2)21(7)33(40)38-29/h10-11,15-17,35-36H,2-3,9,12-14H2,1,4-8H3,(H,38,40)/b26-15?,29-16-,30-17?
InChIKeyHKVGYVTWXOKPCM-YUUIDLQXSA-N
XLogP4.08
TPSA116.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.70
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate?
The IUPAC name of methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate (CID 174144554) is methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate is C=CC1=C(C)C(C=c2[nH]c(=Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)OC)c(CCC)c2C)=NC1=O.
What is the InChIKey of methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate?
The InChIKey is HKVGYVTWXOKPCM-YUUIDLQXSA-N. The full InChI is InChI=1S/C34H38N4O4/c1-9-12-24-19(5)26(15-28-18(4)23(11-3)34(41)37-28)35-30(24)17-31-25(13-14-32(39)42-8)20(6)27(36-31)16-29-22(10-2)21(7)33(40)38-29/h10-11,15-17,35-36H,2-3,9,12-14H2,1,4-8H3,(H,38,40)/b26-15?,29-16-,30-17?.
What are the key properties of methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate?
methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate has a molecular weight of 566.70 g/mol, XLogP of 4.08, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate is sourced from PubChem (CID 174144554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).