(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one

C15H20N2O — CID 10538284

IUPAC(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
SMILESCCc1c[nH]c(/C=C2/NC(=O)C(C)=C2C)c1CC
InChIInChI=1S/C15H20N2O/c1-5-11-8-16-14(12(11)6-2)7-13-9(3)10(4)15(18)17-13/h7-8,16H,5-6H2,1-4H3,(H,17,18)/b13-7+
InChIKeyFXICBYZYDOYKFB-NTUHNPAUSA-N
MW244.34 g/mol
LogP2.95
Rot. Bonds3

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

(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one (PubChem CID 10538284) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one.

Molecular Properties

Compound Name(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
PubChem CID10538284
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
SMILESCCc1c[nH]c(/C=C2/NC(=O)C(C)=C2C)c1CC
InChIInChI=1S/C15H20N2O/c1-5-11-8-16-14(12(11)6-2)7-13-9(3)10(4)15(18)17-13/h7-8,16H,5-6H2,1-4H3,(H,17,18)/b13-7+
InChIKeyFXICBYZYDOYKFB-NTUHNPAUSA-N
XLogP2.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one
CID 24766671
(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 11298892
(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
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
ethyl 5-[(Z)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
CID 13157977
(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one
CID 15297627
(Z)-3-(3,4-diethyl-1H-pyrrol-2-yl)-2-methylprop-2-enenitrile
CID 58700900
ruthenium;2,3,4-triethyl-1H-pyrrole
CID 174581947
6-[5-[(Z)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]hept-6-enoic acid
CID 10521263
methyl 3-[4-methyl-5-[(Z)-[3-methyl-4-[2-(4-methylphenyl)sulfanylethyl]-5-oxopyrrol-2-ylidene]methyl]-1H-pyrrol-3-yl]propanoate
CID 167136539
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
(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[2-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]ethyl]-3,5-dimethylpyrrole
CID 177388577

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one?
The IUPAC name of (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one (CID 10538284) is (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one.
What is the SMILES notation for (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one?
The canonical SMILES for (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one is CCc1c[nH]c(/C=C2/NC(=O)C(C)=C2C)c1CC.
What is the InChIKey of (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one?
The InChIKey is FXICBYZYDOYKFB-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-11-8-16-14(12(11)6-2)7-13-9(3)10(4)15(18)17-13/h7-8,16H,5-6H2,1-4H3,(H,17,18)/b13-7+.
What are the key properties of (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one?
(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one is sourced from PubChem (CID 10538284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).