(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one

C15H20N2O — CID 24766671

IUPAC(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one
SMILESCCC1=C(C)C(=O)N/C1=C\c1[nH]cc(CC)c1C
InChIInChI=1S/C15H20N2O/c1-5-11-8-16-13(9(11)3)7-14-12(6-2)10(4)15(18)17-14/h7-8,16H,5-6H2,1-4H3,(H,17,18)/b14-7-
InChIKeyHBCCTSPAYDODRR-AUWJEWJLSA-N
MW244.34 g/mol
LogP3.08
Rot. Bonds3

About (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one

(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one (PubChem CID 24766671) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one.

Molecular Properties

Compound Name(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one
PubChem CID24766671
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one
SMILESCCC1=C(C)C(=O)N/C1=C\c1[nH]cc(CC)c1C
InChIInChI=1S/C15H20N2O/c1-5-11-8-16-13(9(11)3)7-14-12(6-2)10(4)15(18)17-14/h7-8,16H,5-6H2,1-4H3,(H,17,18)/b14-7-
InChIKeyHBCCTSPAYDODRR-AUWJEWJLSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one?
The IUPAC name of (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one (CID 24766671) is (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one.
What is the SMILES notation for (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one?
The canonical SMILES for (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one is CCC1=C(C)C(=O)N/C1=C\c1[nH]cc(CC)c1C.
What is the InChIKey of (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one?
The InChIKey is HBCCTSPAYDODRR-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-11-8-16-13(9(11)3)7-14-12(6-2)10(4)15(18)17-14/h7-8,16H,5-6H2,1-4H3,(H,17,18)/b14-7-.
What are the key properties of (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one?
(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one is sourced from PubChem (CID 24766671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).