2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine

C13H18N2O2 — CID 133357599

IUPAC2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine
SMILESCc1cccc([N+](=O)[O-])c1N1CCC(C)C1C
InChIInChI=1S/C13H18N2O2/c1-9-7-8-14(11(9)3)13-10(2)5-4-6-12(13)15(16)17/h4-6,9,11H,7-8H2,1-3H3
InChIKeyIJZDKCDGQUAPRB-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.14
Rot. Bonds2

About 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine

2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine (PubChem CID 133357599) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine
PubChem CID133357599
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine
SMILESCc1cccc([N+](=O)[O-])c1N1CCC(C)C1C
InChIInChI=1S/C13H18N2O2/c1-9-7-8-14(11(9)3)13-10(2)5-4-6-12(13)15(16)17/h4-6,9,11H,7-8H2,1-3H3
InChIKeyIJZDKCDGQUAPRB-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'}

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Related Compounds

2,3-dimethyl-1-(3-methyl-4-nitrophenyl)pyrrolidine
CID 133357701
1-(2-methyl-6-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113333845
3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
CID 115553937
methyl 1-(2-methyl-6-nitrophenyl)piperidine-2-carboxylate
CID 115554053
(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
CID 102986574
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-nitrobenzoic acid
CID 102781621
2-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]acetic acid
CID 115551122
1-[1-(2-methyl-6-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627908
N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide
CID 115553899
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
3-methyl-1-(2-methyl-6-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 102775940
1-(2-methyl-6-nitrophenyl)-4-(triazol-1-ylmethyl)piperidine
CID 133412676

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine?
The IUPAC name of 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine (CID 133357599) is 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine.
What is the SMILES notation for 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine?
The canonical SMILES for 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine is Cc1cccc([N+](=O)[O-])c1N1CCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine?
The InChIKey is IJZDKCDGQUAPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-8-14(11(9)3)13-10(2)5-4-6-12(13)15(16)17/h4-6,9,11H,7-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(2-methyl-6-nitrophenyl)pyrrolidine?
2,3-dimethyl-1-(2-methyl-6-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-(2-methyl-6-nitrophenyl)pyrrolidine is sourced from PubChem (CID 133357599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).