1-(1-aminoethyl)-4-phenylpyrrolidin-2-one

C12H16N2O — CID 143666177

IUPAC1-(1-aminoethyl)-4-phenylpyrrolidin-2-one
SMILESCC(N)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C12H16N2O/c1-9(13)14-8-11(7-12(14)15)10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3
InChIKeyQTDAOWJDJCPLRU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.31
Rot. Bonds2

About 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one

1-(1-aminoethyl)-4-phenylpyrrolidin-2-one (PubChem CID 143666177) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-aminoethyl)-4-phenylpyrrolidin-2-one
PubChem CID143666177
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(1-aminoethyl)-4-phenylpyrrolidin-2-one
SMILESCC(N)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C12H16N2O/c1-9(13)14-8-11(7-12(14)15)10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3
InChIKeyQTDAOWJDJCPLRU-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-[bis(trimethylsilyl)methyl]-4-phenylpyrrolidin-2-one
CID 101372634
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
1-[1-(4-bromophenyl)ethyl]-4-phenylpiperidin-2-one;prop-1-ene
CID 143832781
1-tert-butyl-4-phenylpiperidine-2,6-dione
CID 59551400
1-(3-phenylazetidin-1-yl)propan-2-amine
CID 79678863
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
1,4-diphenylpiperidine-2,6-dione
CID 2812798

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one (CID 143666177) is 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one is CC(N)N1CC(c2ccccc2)CC1=O.
What is the InChIKey of 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one?
The InChIKey is QTDAOWJDJCPLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(13)14-8-11(7-12(14)15)10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3.
What are the key properties of 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one?
1-(1-aminoethyl)-4-phenylpyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 143666177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).