1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one

C12H16N2O — CID 50987521

IUPAC1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
SMILESCC(N)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C12H16N2O/c1-9(13)10-4-6-11(7-5-10)14-8-2-3-12(14)15/h4-7,9H,2-3,8,13H2,1H3
InChIKeyIIPWVKDPLQHHNR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.83
Rot. Bonds2

About 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one

1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one (PubChem CID 50987521) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
PubChem CID50987521
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
SMILESCC(N)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C12H16N2O/c1-9(13)10-4-6-11(7-5-10)14-8-2-3-12(14)15/h4-7,9H,2-3,8,13H2,1H3
InChIKeyIIPWVKDPLQHHNR-UHFFFAOYSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(1R)-1-aminopropyl]phenyl]pyrrolidin-2-one
CID 79015875
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonate
CID 58755397
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(4-aminophenyl)azepan-2-one
CID 58962781
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
1-(4-pentan-3-ylphenyl)piperidin-2-one;propane
CID 169104923
1-(4-aminophenyl)piperidin-2-one
CID 11458178
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
2-amino-2-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120666734

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one (CID 50987521) is 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one is CC(N)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one?
The InChIKey is IIPWVKDPLQHHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(13)10-4-6-11(7-5-10)14-8-2-3-12(14)15/h4-7,9H,2-3,8,13H2,1H3.
What are the key properties of 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one?
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 50987521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).