(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione

C17H15N3O4 — CID 7394441

IUPAC(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
SMILESCN(c1ccccc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C17H15N3O4/c1-18(12-5-3-2-4-6-12)15-11-16(21)19(17(15)22)13-7-9-14(10-8-13)20(23)24/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeyXHPBNUVUJSLWMW-HNNXBMFYSA-N
MW325.32 g/mol
LogP2.36
Rot. Bonds4

About (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione

(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 7394441) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID7394441
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
SMILESCN(c1ccccc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C17H15N3O4/c1-18(12-5-3-2-4-6-12)15-11-16(21)19(17(15)22)13-7-9-14(10-8-13)20(23)24/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeyXHPBNUVUJSLWMW-HNNXBMFYSA-N
XLogP2.36
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.36
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

(3S)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065781
(3R)-3-(diethylamino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 7065779
4-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827252
1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865818
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 3749980
1-(4-nitrophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
CID 134262870
3-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827280
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitrobenzamide
CID 23745335
3-(4-nitroanilino)-1-phenylpyrrolidine-2,5-dione
CID 19163761
(3R)-1-(4-nitrophenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 7310610
3-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6610561
(3S)-3-(N-hydroxyanilino)-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7493754

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione (CID 7394441) is (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione is CN(c1ccccc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is XHPBNUVUJSLWMW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-18(12-5-3-2-4-6-12)15-11-16(21)19(17(15)22)13-7-9-14(10-8-13)20(23)24/h2-10,15H,11H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione?
(3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 325.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(N-methylanilino)-1-(4-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7394441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).