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

C27H30N4O2 — CID 177458148

IUPAC5-[(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
SMILESCC1=C(C)C(/C=c2/[nH]/c(=C/c3[nH]c(/C=C4/NC(=O)C(C)=C4C)c(C)c3C)c(C)c2C)=NC1=O
InChIInChI=1S/C27H30N4O2/c1-12-14(3)22(10-24-16(5)18(7)26(32)30-24)28-20(12)9-21-13(2)15(4)23(29-21)11-25-17(6)19(8)27(33)31-25/h9-11,28-29H,1-8H3,(H,30,32)/b21-9+,23-11+,24-10+
InChIKeyFNRZFPYRILBRSD-JLYMDXDRSA-N
MW442.56 g/mol
LogP3.31
Rot. Bonds3

About 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

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 (PubChem CID 177458148) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID177458148
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name5-[(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
SMILESCC1=C(C)C(/C=c2/[nH]/c(=C/c3[nH]c(/C=C4/NC(=O)C(C)=C4C)c(C)c3C)c(C)c2C)=NC1=O
InChIInChI=1S/C27H30N4O2/c1-12-14(3)22(10-24-16(5)18(7)26(32)30-24)28-20(12)9-21-13(2)15(4)23(29-21)11-25-17(6)19(8)27(33)31-25/h9-11,28-29H,1-8H3,(H,30,32)/b21-9+,23-11+,24-10+
InChIKeyFNRZFPYRILBRSD-JLYMDXDRSA-N
XLogP3.31
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(C)C(/C=c2/[nH]/c(=C/c3[nH]c(/C=C4/NC(=O)C(C)=C4C)c(C)c3C)c(C)c2C)=NC1=O.
What is the InChIKey of 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?
The InChIKey is FNRZFPYRILBRSD-JLYMDXDRSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-12-14(3)22(10-24-16(5)18(7)26(32)30-24)28-20(12)9-21-13(2)15(4)23(29-21)11-25-17(6)19(8)27(33)31-25/h9-11,28-29H,1-8H3,(H,30,32)/b21-9+,23-11+,24-10+.
What are the key properties of 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?
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 has a molecular weight of 442.56 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177458148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).