1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one

C13H16N2O — CID 168685419

IUPAC1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccccc2CN)C1
InChIInChI=1S/C13H16N2O/c1-2-10-7-13(16)15(9-10)12-6-4-3-5-11(12)8-14/h2-6,10H,1,7-9,14H2
InChIKeyNJGDFHVFNHDRIW-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds3

About 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one

1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168685419) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
PubChem CID168685419
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccccc2CN)C1
InChIInChI=1S/C13H16N2O/c1-2-10-7-13(16)15(9-10)12-6-4-3-5-11(12)8-14/h2-6,10H,1,7-9,14H2
InChIKeyNJGDFHVFNHDRIW-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 168703041
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one
CID 168684209
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
N-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzamide
CID 168686066
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenylpyrrolidin-2-one
CID 168686516
4-ethenyl-1-isoquinolin-4-ylpyrrolidin-2-one
CID 168686565
4-ethenyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168686481
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-[4-(aminomethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
CID 168685445
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-6-methylbenzoic acid
CID 168685006
1-(2,5-dibromophenyl)-4-ethenylpyrrolidin-2-one
CID 168685715

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one (CID 168685419) is 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2ccccc2CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is NJGDFHVFNHDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-10-7-13(16)15(9-10)12-6-4-3-5-11(12)8-14/h2-6,10H,1,7-9,14H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one?
1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).