(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one

C30H38N4O2S — CID 10529931

IUPAC(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one
SMILESCCc1c(/C=C2/NC(=O)C(C)=C2C)[nH]c(Sc2[nH]c(/C=C3/NC(=O)C(C)=C3C)c(CC)c2CC)c1CC
InChIInChI=1S/C30H38N4O2S/c1-9-19-21(11-3)29(33-25(19)13-23-15(5)17(7)27(35)31-23)37-30-22(12-4)20(10-2)26(34-30)14-24-16(6)18(8)28(36)32-24/h13-14,33-34H,9-12H2,1-8H3,(H,31,35)(H,32,36)/b23-13+,24-14+
InChIKeyVFASRSJXEPJGCV-RNIAWFEPSA-N
MW518.73 g/mol
LogP6.36
Rot. Bonds8

About (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one

(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one (PubChem CID 10529931) has the molecular formula C30H38N4O2S and a molecular weight of 518.73 g/mol. Its IUPAC name is (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one.

Molecular Properties

Compound Name(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one
PubChem CID10529931
Molecular FormulaC30H38N4O2S
Molecular Weight518.73 g/mol
Exact Mass518.27
IUPAC Name(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one
SMILESCCc1c(/C=C2/NC(=O)C(C)=C2C)[nH]c(Sc2[nH]c(/C=C3/NC(=O)C(C)=C3C)c(CC)c2CC)c1CC
InChIInChI=1S/C30H38N4O2S/c1-9-19-21(11-3)29(33-25(19)13-23-15(5)17(7)27(35)31-23)37-30-22(12-4)20(10-2)26(34-30)14-24-16(6)18(8)28(36)32-24/h13-14,33-34H,9-12H2,1-8H3,(H,31,35)(H,32,36)/b23-13+,24-14+
InChIKeyVFASRSJXEPJGCV-RNIAWFEPSA-N
XLogP6.36
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.73
LogP ≤ 56.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one with MolForge

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Related Compounds

(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 10538284
ethyl 5-[(Z)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
CID 13157977
(5Z)-5-[[5-[(2,2-dimethyl-1,3-dioxan-5-ylidene)methyl]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one
CID 102472265
6-[5-[(Z)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]hept-6-enoic acid
CID 10521263
(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 11298892
(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one
CID 15297627
5-[(E)-[(5E)-5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-ylidene]methyl]-3,4-dimethylpyrrol-2-one
CID 177458148
(5E)-5-[[3,4-diethyl-5-(2-methylbenzoyl)-1H-pyrrol-2-yl]methylidene]-3,4-diethylpyrrol-2-one
CID 102099901
(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one
CID 24766671
5,7-dibromo-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methyl-1H-indol-2-one
CID 57297089
2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole
CID 25199407
(5Z)-3-butyl-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-2-one
CID 11615854

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one?
The IUPAC name of (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one (CID 10529931) is (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one.
What is the SMILES notation for (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one?
The canonical SMILES for (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one is CCc1c(/C=C2/NC(=O)C(C)=C2C)[nH]c(Sc2[nH]c(/C=C3/NC(=O)C(C)=C3C)c(CC)c2CC)c1CC.
What is the InChIKey of (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one?
The InChIKey is VFASRSJXEPJGCV-RNIAWFEPSA-N. The full InChI is InChI=1S/C30H38N4O2S/c1-9-19-21(11-3)29(33-25(19)13-23-15(5)17(7)27(35)31-23)37-30-22(12-4)20(10-2)26(34-30)14-24-16(6)18(8)28(36)32-24/h13-14,33-34H,9-12H2,1-8H3,(H,31,35)(H,32,36)/b23-13+,24-14+.
What are the key properties of (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one?
(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one has a molecular weight of 518.73 g/mol, XLogP of 6.36, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one is sourced from PubChem (CID 10529931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).