1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one

C14H21N3O — CID 58911264

IUPAC1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CNc2ccccc2N)C1
InChIInChI=1S/C14H21N3O/c1-2-5-11-8-14(18)17(9-11)10-16-13-7-4-3-6-12(13)15/h3-4,6-7,11,16H,2,5,8-10,15H2,1H3
InChIKeyJHWBEPLUZHSOMY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds5

About 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one

1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one (PubChem CID 58911264) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one
PubChem CID58911264
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CNc2ccccc2N)C1
InChIInChI=1S/C14H21N3O/c1-2-5-11-8-14(18)17(9-11)10-16-13-7-4-3-6-12(13)15/h3-4,6-7,11,16H,2,5,8-10,15H2,1H3
InChIKeyJHWBEPLUZHSOMY-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one (CID 58911264) is 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CNc2ccccc2N)C1.
What is the InChIKey of 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one?
The InChIKey is JHWBEPLUZHSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-5-11-8-14(18)17(9-11)10-16-13-7-4-3-6-12(13)15/h3-4,6-7,11,16H,2,5,8-10,15H2,1H3.
What are the key properties of 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one?
1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminoanilino)methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 58911264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).