1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one

C13H16N2O — CID 168684817

IUPAC1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(N)ccc2C)C1
InChIInChI=1S/C13H16N2O/c1-3-10-6-13(16)15(8-10)12-7-11(14)5-4-9(12)2/h3-5,7,10H,1,6,8,14H2,2H3
InChIKeyKMXKXIYKDOKDEB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.12
Rot. Bonds2

About 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one

1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168684817) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168684817
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(N)ccc2C)C1
InChIInChI=1S/C13H16N2O/c1-3-10-6-13(16)15(8-10)12-7-11(14)5-4-9(12)2/h3-5,7,10H,1,6,8,14H2,2H3
InChIKeyKMXKXIYKDOKDEB-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684826
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684671
1-(2-amino-4-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684699
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
1-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664
1-(2-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684750
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
4-ethenyl-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168684943
4-ethenyl-1-(4-methyl-2-nitrophenyl)pyrrolidin-2-one
CID 168684764

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one (CID 168684817) is 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(N)ccc2C)C1.
What is the InChIKey of 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is KMXKXIYKDOKDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10-6-13(16)15(8-10)12-7-11(14)5-4-9(12)2/h3-5,7,10H,1,6,8,14H2,2H3.
What are the key properties of 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).