[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium

C10H10N3O4+ — CID 7336292

IUPAC[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILES[NH3+][C@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C10H9N3O4/c11-6-5-9(14)12(10(6)15)7-3-1-2-4-8(7)13(16)17/h1-4,6H,5,11H2/p+1/t6-/m0/s1
InChIKeyYZQCBASAMUPCDK-LURJTMIESA-O
MW236.21 g/mol
LogP-0.53
Rot. Bonds2

About [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium

[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium (PubChem CID 7336292) has the molecular formula C10H10N3O4+ and a molecular weight of 236.21 g/mol. Its IUPAC name is [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
PubChem CID7336292
Molecular FormulaC10H10N3O4+
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
SMILES[NH3+][C@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C10H9N3O4/c11-6-5-9(14)12(10(6)15)7-3-1-2-4-8(7)13(16)17/h1-4,6H,5,11H2/p+1/t6-/m0/s1
InChIKeyYZQCBASAMUPCDK-LURJTMIESA-O
XLogP-0.53
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7336293
(3S)-3-(N-hydroxyanilino)-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7493754
3-[1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 43827049
4-(2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2844179
(3aS,4S,7R,7aR)-4,7-dimethyl-2-(2-nitrophenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 7127334
(1S,2S,6S,7S)-4-(2-nitrophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98048120
(1S,2S,6R,7S,8S,10R)-4-(2-nitrophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124763356
(1S,2S,6S,7R)-4-(2-nitrophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 11880190
3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 17067490
(2R)-2-amino-3-methyl-3-[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbutanoic acid
CID 40608042
4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
CID 168700800
(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 30468032

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The IUPAC name of [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium (CID 7336292) is [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium.
What is the SMILES notation for [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The canonical SMILES for [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium is [NH3+][C@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O.
What is the InChIKey of [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
The InChIKey is YZQCBASAMUPCDK-LURJTMIESA-O. The full InChI is InChI=1S/C10H9N3O4/c11-6-5-9(14)12(10(6)15)7-3-1-2-4-8(7)13(16)17/h1-4,6H,5,11H2/p+1/t6-/m0/s1.
What are the key properties of [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium?
[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium has a molecular weight of 236.21 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium is sourced from PubChem (CID 7336292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).