1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one

C12H16N2O — CID 10584340

IUPAC1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
SMILESNc1ccc(CCN2CCCC2=O)cc1
InChIInChI=1S/C12H16N2O/c13-11-5-3-10(4-6-11)7-9-14-8-1-2-12(14)15/h3-6H,1-2,7-9,13H2
InChIKeyLYMHOTDTFUTLNM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds3

About 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one

1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one (PubChem CID 10584340) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
PubChem CID10584340
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
SMILESNc1ccc(CCN2CCCC2=O)cc1
InChIInChI=1S/C12H16N2O/c13-11-5-3-10(4-6-11)7-9-14-8-1-2-12(14)15/h3-6H,1-2,7-9,13H2
InChIKeyLYMHOTDTFUTLNM-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-aminophenyl)ethyl]azepane-2,7-dione
CID 43519640
1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 70071583
amino-[2-amino-5-[2-(2-oxopyrrolidin-1-yl)ethyl]phenyl]-oxoazanium
CID 18176363
1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
CID 70380945
3-[2-(4-aminophenyl)ethyl]-1,3-oxazolidin-2-one
CID 10703476
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one
CID 43259775
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110428842
N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110611274

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one (CID 10584340) is 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one is Nc1ccc(CCN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is LYMHOTDTFUTLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-5-3-10(4-6-11)7-9-14-8-1-2-12(14)15/h3-6H,1-2,7-9,13H2.
What are the key properties of 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one?
1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 10584340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).