4-(3-amino-5-methoxyanilino)pyrrolidin-2-one

C11H15N3O2 — CID 106183164

IUPAC4-(3-amino-5-methoxyanilino)pyrrolidin-2-one
SMILESCOc1cc(N)cc(NC2CNC(=O)C2)c1
InChIInChI=1S/C11H15N3O2/c1-16-10-3-7(12)2-8(4-10)14-9-5-11(15)13-6-9/h2-4,9,14H,5-6,12H2,1H3,(H,13,15)
InChIKeyUCGLRCIYSNDAEN-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.58
Rot. Bonds3

About 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one

4-(3-amino-5-methoxyanilino)pyrrolidin-2-one (PubChem CID 106183164) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-amino-5-methoxyanilino)pyrrolidin-2-one
PubChem CID106183164
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(3-amino-5-methoxyanilino)pyrrolidin-2-one
SMILESCOc1cc(N)cc(NC2CNC(=O)C2)c1
InChIInChI=1S/C11H15N3O2/c1-16-10-3-7(12)2-8(4-10)14-9-5-11(15)13-6-9/h2-4,9,14H,5-6,12H2,1H3,(H,13,15)
InChIKeyUCGLRCIYSNDAEN-UHFFFAOYSA-N
XLogP0.58
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one?
The IUPAC name of 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one (CID 106183164) is 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one?
The canonical SMILES for 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one is COc1cc(N)cc(NC2CNC(=O)C2)c1.
What is the InChIKey of 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one?
The InChIKey is UCGLRCIYSNDAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-10-3-7(12)2-8(4-10)14-9-5-11(15)13-6-9/h2-4,9,14H,5-6,12H2,1H3,(H,13,15).
What are the key properties of 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one?
4-(3-amino-5-methoxyanilino)pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methoxyanilino)pyrrolidin-2-one is sourced from PubChem (CID 106183164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).