3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione

C17H19N3O4 — CID 110541926

IUPAC3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCCC2)C1=O
InChIInChI=1S/C17H19N3O4/c1-11(2)19-16(21)14(12-5-7-13(8-6-12)20(23)24)15(17(19)22)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyYLGRITYXWOMLMD-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.18
Rot. Bonds4

About 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione

3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110541926) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110541926
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCCC2)C1=O
InChIInChI=1S/C17H19N3O4/c1-11(2)19-16(21)14(12-5-7-13(8-6-12)20(23)24)15(17(19)22)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyYLGRITYXWOMLMD-UHFFFAOYSA-N
XLogP2.18
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-[4-(3-methylphenyl)piperazin-1-yl]-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110541934
3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione
CID 110570292
3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110541948
3-(4-nitrophenyl)-1-(3-propan-2-yloxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110541603
1-hexyl-3-(4-nitrophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110541738
3-anilino-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110585459
1-(2,4-dimethoxyphenyl)-3-(4-nitrophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110542451
3-(4-methylpiperazin-1-yl)-4-(4-nitrophenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110541463
1-cycloheptyl-3-(4-methylpiperazin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541523
3-(N-methylanilino)-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110541949
1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553811
3-[bis(2-methoxyethyl)amino]-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110541945

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110541926) is 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione is CC(C)N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCCC2)C1=O.
What is the InChIKey of 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is YLGRITYXWOMLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(2)19-16(21)14(12-5-7-13(8-6-12)20(23)24)15(17(19)22)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione?
3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 329.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110541926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).