5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one

C13H16N2O4 — CID 23263783

IUPAC5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one
SMILESCC1(C)CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1(C)O
InChIInChI=1S/C13H16N2O4/c1-12(2)8-11(16)14(13(12,3)17)9-4-6-10(7-5-9)15(18)19/h4-7,17H,8H2,1-3H3
InChIKeyRQEQGPQOIMOFQP-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.07
Rot. Bonds2

About 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one

5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one (PubChem CID 23263783) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one
PubChem CID23263783
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one
SMILESCC1(C)CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1(C)O
InChIInChI=1S/C13H16N2O4/c1-12(2)8-11(16)14(13(12,3)17)9-4-6-10(7-5-9)15(18)19/h4-7,17H,8H2,1-3H3
InChIKeyRQEQGPQOIMOFQP-UHFFFAOYSA-N
XLogP2.07
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.07
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'}

Analyze 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2,2,5,5,6,6-hexahydroxy-4-(4-nitrophenyl)morpholin-3-one
CID 143764296
1-methyl-2-(4-nitrophenyl)pyridazine-3,6-dione
CID 12863309
(3S)-3-hydroxy-2-(4-nitrophenyl)-3-phenylisoindol-1-one
CID 40548725
4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one
CID 10067588
6-methyl-2-(4-nitrophenyl)-2,6-diazaspiro[3.3]heptane
CID 154969076
4-(1-hydroxycyclohexyl)-1-(4-nitrophenyl)pyrrolidin-2-one
CID 3727820
5,5-dimethyl-3-(4-nitrophenyl)-1,3-diazinane-2,4-dione
CID 115429011
1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 66605218
(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 66710890
5-methyl-2-(4-nitrophenyl)-3-phenyl-4H-pyrazol-3-ol
CID 86185538
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one (CID 23263783) is 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one is CC1(C)CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1(C)O.
What is the InChIKey of 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one?
The InChIKey is RQEQGPQOIMOFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-12(2)8-11(16)14(13(12,3)17)9-4-6-10(7-5-9)15(18)19/h4-7,17H,8H2,1-3H3.
What are the key properties of 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one?
5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 23263783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).