1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one

C12H16N2O — CID 3243205

IUPAC1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(N)cc1CN1CCCC1=O
InChIInChI=1S/C12H16N2O/c1-9-4-5-11(13)7-10(9)8-14-6-2-3-12(14)15/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyUGMFPJNRJGALCL-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.70
Rot. Bonds2

About 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one

1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 3243205) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID3243205
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(N)cc1CN1CCCC1=O
InChIInChI=1S/C12H16N2O/c1-9-4-5-11(13)7-10(9)8-14-6-2-3-12(14)15/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyUGMFPJNRJGALCL-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one (CID 3243205) is 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(N)cc1CN1CCCC1=O.
What is the InChIKey of 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is UGMFPJNRJGALCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-5-11(13)7-10(9)8-14-6-2-3-12(14)15/h4-5,7H,2-3,6,8,13H2,1H3.
What are the key properties of 1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one?
1-[(5-amino-2-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.70, 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)methyl]pyrrolidin-2-one is sourced from PubChem (CID 3243205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).