1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one

C12H16N2O2 — CID 154955573

IUPAC1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cccc(C2(C)CCN(N)C2=O)c1
InChIInChI=1S/C12H16N2O2/c1-12(6-7-14(13)11(12)15)9-4-3-5-10(8-9)16-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyQZZROPWHMJJGIT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.06
Rot. Bonds2

About 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one

1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one (PubChem CID 154955573) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
PubChem CID154955573
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
SMILESCOc1cccc(C2(C)CCN(N)C2=O)c1
InChIInChI=1S/C12H16N2O2/c1-12(6-7-14(13)11(12)15)9-4-3-5-10(8-9)16-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyQZZROPWHMJJGIT-UHFFFAOYSA-N
XLogP1.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one (CID 154955573) is 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one is COc1cccc(C2(C)CCN(N)C2=O)c1.
What is the InChIKey of 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
The InChIKey is QZZROPWHMJJGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(6-7-14(13)11(12)15)9-4-3-5-10(8-9)16-2/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one?
1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 154955573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).