[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium

C20H23N4O2+ — CID 7303462

IUPAC[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
SMILESCC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O
InChIInChI=1S/C20H22N4O2/c1-3-23(4-2)18-14-19(25)24(20(18)26)17-12-10-16(11-13-17)22-21-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3/p+1/b22-21+/t18-/m1/s1
InChIKeyFKOKZSGGFPYTAY-KHOFPDMRSA-O
MW351.43 g/mol
LogP2.66
Rot. Bonds6

About [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium

[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium (PubChem CID 7303462) has the molecular formula C20H23N4O2+ and a molecular weight of 351.43 g/mol. Its IUPAC name is [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium.

Molecular Properties

Compound Name[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
PubChem CID7303462
Molecular FormulaC20H23N4O2+
Molecular Weight351.43 g/mol
Exact Mass351.18
IUPAC Name[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium
SMILESCC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O
InChIInChI=1S/C20H22N4O2/c1-3-23(4-2)18-14-19(25)24(20(18)26)17-12-10-16(11-13-17)22-21-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3/p+1/b22-21+/t18-/m1/s1
InChIKeyFKOKZSGGFPYTAY-KHOFPDMRSA-O
XLogP2.66
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
(3S)-3-(diethylamino)-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 7303465
dibenzyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7434882
diethyl-[(3R)-1-[4-(2-methoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]azanium
CID 6988170
[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-diethylazanium
CID 6947342
3-[2-(2-fluorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 4064727
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-bis(prop-2-enyl)azanium
CID 7439653
(3S)-3-[2-(4-chlorophenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130913
[(3S)-1-[4-(2-butoxy-2-oxoethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]-diethylazanium
CID 7323110
(3S)-3-[2-(3-methoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130910
(3S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
CID 98130898

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium?
The IUPAC name of [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium (CID 7303462) is [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium.
What is the SMILES notation for [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium?
The canonical SMILES for [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium is CC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(/N=N/c3ccccc3)cc2)C1=O.
What is the InChIKey of [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium?
The InChIKey is FKOKZSGGFPYTAY-KHOFPDMRSA-O. The full InChI is InChI=1S/C20H22N4O2/c1-3-23(4-2)18-14-19(25)24(20(18)26)17-12-10-16(11-13-17)22-21-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3/p+1/b22-21+/t18-/m1/s1.
What are the key properties of [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium?
[(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium has a molecular weight of 351.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]-diethylazanium is sourced from PubChem (CID 7303462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).