2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine

C13H18N2O2 — CID 133357701

IUPAC2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine
SMILESCc1cc(N2CCC(C)C2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O2/c1-9-6-7-14(11(9)3)12-4-5-13(15(16)17)10(2)8-12/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyROGKBQCIXJPEQI-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.14
Rot. Bonds2

About 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine

2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine (PubChem CID 133357701) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine
PubChem CID133357701
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine
SMILESCc1cc(N2CCC(C)C2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O2/c1-9-6-7-14(11(9)3)12-4-5-13(15(16)17)10(2)8-12/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyROGKBQCIXJPEQI-UHFFFAOYSA-N
XLogP3.14
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine 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

2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine
CID 133357599
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998
1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine
CID 75440705
1-[4-(2,3-dimethylpiperidin-1-yl)-2-nitrophenyl]ethanone
CID 104529643
1-(3-methyl-4-nitrophenyl)azepane
CID 23103808
[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]methanol
CID 47281098
4-(3-methyl-4-nitrophenyl)thiomorpholine
CID 11514222
1-(3-methyl-4-nitrophenyl)-4-phenylpiperazine
CID 165348222
4-[[1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methyl]morpholine
CID 86801732
1-(3-methoxy-4-nitrophenyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776506
4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine
CID 133428121
(3R)-1-(3-methyl-4-nitrophenyl)piperidine-3-carboxylic acid
CID 26597625

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine?
The IUPAC name of 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine (CID 133357701) is 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine.
What is the SMILES notation for 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine?
The canonical SMILES for 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine is Cc1cc(N2CCC(C)C2C)ccc1[N+](=O)[O-].
What is the InChIKey of 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine?
The InChIKey is ROGKBQCIXJPEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-7-14(11(9)3)12-4-5-13(15(16)17)10(2)8-12/h4-5,8-9,11H,6-7H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine?
2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine has a molecular weight of 234.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine is sourced from PubChem (CID 133357701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).