3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one

C13H15NO2 — CID 788465

IUPAC3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one
SMILESCOc1ccc(NC2=C(C)C(=O)CC2)cc1
InChIInChI=1S/C13H15NO2/c1-9-12(7-8-13(9)15)14-10-3-5-11(16-2)6-4-10/h3-6,14H,7-8H2,1-2H3
InChIKeyOIQAKWAVSVPOEE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.74
Rot. Bonds3

About 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one

3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one (PubChem CID 788465) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one
PubChem CID788465
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one
SMILESCOc1ccc(NC2=C(C)C(=O)CC2)cc1
InChIInChI=1S/C13H15NO2/c1-9-12(7-8-13(9)15)14-10-3-5-11(16-2)6-4-10/h3-6,14H,7-8H2,1-2H3
InChIKeyOIQAKWAVSVPOEE-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phenacetin
CID 4754
N-(4-Methoxyphenyl)Acetamide
CID 5827
4,4'-Dimethoxydiphenylamine
CID 7571
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
4'-Methoxyacetoacetanilide
CID 21576
5,5-Dimethyl-3-(4-methoxyanilino)-2-cyclohexen-1-one
CID 698514
2,2,2-Trifluoro-N-(4-methoxy-phenyl)-acetamide
CID 101284
N-(4-methoxyphenyl)acrylamide
CID 82197
N-(4-Methoxyphenyl)formamide
CID 79616
1-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
p-Methoxyphenylurea
CID 74066
2-bromo-N-(4-methoxyphenyl)-3-methylbutanamide
CID 4414641

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one (CID 788465) is 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one is COc1ccc(NC2=C(C)C(=O)CC2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one?
The InChIKey is OIQAKWAVSVPOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-12(7-8-13(9)15)14-10-3-5-11(16-2)6-4-10/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one?
3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 788465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).