1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one

C11H14N2O2 — CID 13062318

IUPAC1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N)cc1N1CCCC1=O
InChIInChI=1S/C11H14N2O2/c1-15-10-5-4-8(12)7-9(10)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3
InChIKeyATWAKSYWVZZWDA-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.40
Rot. Bonds2

About 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one

1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 13062318) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one
PubChem CID13062318
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N)cc1N1CCCC1=O
InChIInChI=1S/C11H14N2O2/c1-15-10-5-4-8(12)7-9(10)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3
InChIKeyATWAKSYWVZZWDA-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
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-(5-amino-2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one (CID 13062318) is 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one is COc1ccc(N)cc1N1CCCC1=O.
What is the InChIKey of 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is ATWAKSYWVZZWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-10-5-4-8(12)7-9(10)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3.
What are the key properties of 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one?
1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 13062318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).