1-[(3-aminophenyl)methyl]pyrrolidin-2-one

C11H14N2O — CID 18800521

IUPAC1-[(3-aminophenyl)methyl]pyrrolidin-2-one
SMILESNc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C11H14N2O/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8,12H2
InChIKeyPJNZDXATAWLXOB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.39
Rot. Bonds2

About 1-[(3-aminophenyl)methyl]pyrrolidin-2-one

1-[(3-aminophenyl)methyl]pyrrolidin-2-one (PubChem CID 18800521) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]pyrrolidin-2-one
PubChem CID18800521
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[(3-aminophenyl)methyl]pyrrolidin-2-one
SMILESNc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C11H14N2O/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8,12H2
InChIKeyPJNZDXATAWLXOB-UHFFFAOYSA-N
XLogP1.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.39
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-[(3-aminophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-aminophenyl)methyl]pyrrolidin-2-one (CID 18800521) is 1-[(3-aminophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-aminophenyl)methyl]pyrrolidin-2-one is Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]pyrrolidin-2-one?
The InChIKey is PJNZDXATAWLXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(13)14/h1,3-4,7H,2,5-6,8,12H2.
What are the key properties of 1-[(3-aminophenyl)methyl]pyrrolidin-2-one?
1-[(3-aminophenyl)methyl]pyrrolidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 18800521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).