1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione

C14H18N2O2 — CID 61349210

IUPAC1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
SMILESCNCCCN1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-15-8-5-9-16-13(17)10-12(14(16)18)11-6-3-2-4-7-11/h2-4,6-7,12,15H,5,8-10H2,1H3
InChIKeyJYOWHRNXWDHWSD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.14
Rot. Bonds5

About 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione

1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 61349210) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID61349210
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
SMILESCNCCCN1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-15-8-5-9-16-13(17)10-12(14(16)18)11-6-3-2-4-7-11/h2-4,6-7,12,15H,5,8-10H2,1H3
InChIKeyJYOWHRNXWDHWSD-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[3-(diethylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 98101275
1-[4-[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]butyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
CID 3087707
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848
1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
CID 106146031
3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione
CID 63622899
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
CID 115319957
1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
CID 106288752
3-(4-bromophenyl)-1-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
CID 10551755
1-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 81134502
(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9279325
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione (CID 61349210) is 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione is CNCCCN1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is JYOWHRNXWDHWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-8-5-9-16-13(17)10-12(14(16)18)11-6-3-2-4-7-11/h2-4,6-7,12,15H,5,8-10H2,1H3.
What are the key properties of 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione?
1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 61349210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).