(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one

C17H16N2O4 — CID 11034304

IUPAC(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](c3ccc([N+](=O)[O-])cc3)CC2=O)cc1
InChIInChI=1S/C17H16N2O4/c1-23-16-8-6-14(7-9-16)18-11-13(10-17(18)20)12-2-4-15(5-3-12)19(21)22/h2-9,13H,10-11H2,1H3/t13-/m0/s1
InChIKeyDHQRXLHGMXKLFS-ZDUSSCGKSA-N
MW312.33 g/mol
LogP3.12
Rot. Bonds4

About (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one

(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one (PubChem CID 11034304) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
PubChem CID11034304
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](c3ccc([N+](=O)[O-])cc3)CC2=O)cc1
InChIInChI=1S/C17H16N2O4/c1-23-16-8-6-14(7-9-16)18-11-13(10-17(18)20)12-2-4-15(5-3-12)19(21)22/h2-9,13H,10-11H2,1H3/t13-/m0/s1
InChIKeyDHQRXLHGMXKLFS-ZDUSSCGKSA-N
XLogP3.12
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
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'}

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Related Compounds

(3S)-1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 6925332
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 43970743
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)urea
CID 7533363
1,5-bis(4-methoxyphenyl)piperidin-2-one
CID 153340032
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004011
(3R)-N-(2-fluoro-5-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40741507
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004012
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 6935158
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9169802
2-chloro-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5-nitrobenzamide
CID 16918405

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one (CID 11034304) is (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one is COc1ccc(N2C[C@@H](c3ccc([N+](=O)[O-])cc3)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one?
The InChIKey is DHQRXLHGMXKLFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-23-16-8-6-14(7-9-16)18-11-13(10-17(18)20)12-2-4-15(5-3-12)19(21)22/h2-9,13H,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one?
(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 312.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 11034304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).