1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride

C13H17ClN2O2 — CID 53440488

IUPAC1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
SMILESCCCNC1CC(=O)N(c2ccccc2)C1=O.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-2-8-14-11-9-12(16)15(13(11)17)10-6-4-3-5-7-10;/h3-7,11,14H,2,8-9H2,1H3;1H
InChIKeyDZHUJBNAUUNLRP-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.74
Rot. Bonds4

About 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride

1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride (PubChem CID 53440488) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
PubChem CID53440488
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
SMILESCCCNC1CC(=O)N(c2ccccc2)C1=O.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-2-8-14-11-9-12(16)15(13(11)17)10-6-4-3-5-7-10;/h3-7,11,14H,2,8-9H2,1H3;1H
InChIKeyDZHUJBNAUUNLRP-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 3135049
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829
1-phenyl-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 61459850
1-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrrolidine-2,5-dione
CID 106427348
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
(3R)-1-(4-bromophenyl)-3-(dodecylamino)pyrrolidine-2,5-dione
CID 98066333
3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
CID 61325731

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride (CID 53440488) is 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride is CCCNC1CC(=O)N(c2ccccc2)C1=O.Cl.
What is the InChIKey of 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is DZHUJBNAUUNLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.ClH/c1-2-8-14-11-9-12(16)15(13(11)17)10-6-4-3-5-7-10;/h3-7,11,14H,2,8-9H2,1H3;1H.
What are the key properties of 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride?
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 53440488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).