4-(4-ethylphenyl)-5-methylidenepyrrol-2-one

C13H13NO — CID 155548952

IUPAC4-(4-ethylphenyl)-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(CC)cc1
InChIInChI=1S/C13H13NO/c1-3-10-4-6-11(7-5-10)12-8-13(15)14-9(12)2/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeyNTDVXBNJZQWYQL-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.28
Rot. Bonds2

About 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one

4-(4-ethylphenyl)-5-methylidenepyrrol-2-one (PubChem CID 155548952) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)-5-methylidenepyrrol-2-one
PubChem CID155548952
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-(4-ethylphenyl)-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(CC)cc1
InChIInChI=1S/C13H13NO/c1-3-10-4-6-11(7-5-10)12-8-13(15)14-9(12)2/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeyNTDVXBNJZQWYQL-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87889
N-(1,1-Dimethyl-2-phenyl-ethyl)-acrylamide
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4-phenyl-2,5-dihydro-1H-pyrrol-2-one
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4-(4-Methylphenyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 12652348
6-Methyl-4-phenylpyridin-2(1h)-one
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4-phenyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 3238911
Nicotinonitrile, 1,2-dihydro-2-oxo-6-phenethyl-
CID 248803
Dpn 205-734
CID 145915
Acetamide, N-(1-(phenylmethyl)cyclopentyl)-
CID 218214
3-[(2E)-3-(4-ethylphenyl)-2-methylprop-2-enoyl]-4,6-dimethylpyridin-2(1H)-one
CID 5726276
3-[3-(4-ethylphenyl)acryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5726165

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one (CID 155548952) is 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one is C=C1NC(=O)C=C1c1ccc(CC)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one?
The InChIKey is NTDVXBNJZQWYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-10-4-6-11(7-5-10)12-8-13(15)14-9(12)2/h4-8H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one?
4-(4-ethylphenyl)-5-methylidenepyrrol-2-one has a molecular weight of 199.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 155548952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).