3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one

C14H18N2O — CID 123767911

IUPAC3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one
SMILESCC(N)C1=CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C14H18N2O/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-8,10-11H,9,15H2,1-2H3
InChIKeyWJDSARLPWCHHFI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.86
Rot. Bonds3

About 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one

3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one (PubChem CID 123767911) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one
PubChem CID123767911
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one
SMILESCC(N)C1=CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C14H18N2O/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-8,10-11H,9,15H2,1-2H3
InChIKeyWJDSARLPWCHHFI-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzylsulfanyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
CID 101087870
ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclopropane-1-carboxylate
CID 22100570
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
ethyl 1-[5-oxo-1-(1-phenylethyl)-2H-pyrrol-3-yl]cyclobutane-1-carboxylate
CID 21260994
4-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
CID 154443959
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
CID 142135206
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one (CID 123767911) is 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one is CC(N)C1=CC(=O)N(C(C)c2ccccc2)C1.
What is the InChIKey of 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is WJDSARLPWCHHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(15)13-8-14(17)16(9-13)11(2)12-6-4-3-5-7-12/h3-8,10-11H,9,15H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one?
3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 230.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 123767911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).