1-(4-methyl-3-nitrophenyl)pyrrole

C11H10N2O2 — CID 883573

IUPAC1-(4-methyl-3-nitrophenyl)pyrrole
SMILESCc1ccc(-n2cccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N2O2/c1-9-4-5-10(8-11(9)13(14)15)12-6-2-3-7-12/h2-8H,1H3
InChIKeyDODNRNONGJJAQL-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.69
Rot. Bonds2

About 1-(4-methyl-3-nitrophenyl)pyrrole

1-(4-methyl-3-nitrophenyl)pyrrole (PubChem CID 883573) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(4-methyl-3-nitrophenyl)pyrrole.

Molecular Properties

Compound Name1-(4-methyl-3-nitrophenyl)pyrrole
PubChem CID883573
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-(4-methyl-3-nitrophenyl)pyrrole
SMILESCc1ccc(-n2cccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N2O2/c1-9-4-5-10(8-11(9)13(14)15)12-6-2-3-7-12/h2-8H,1H3
InChIKeyDODNRNONGJJAQL-UHFFFAOYSA-N
XLogP2.69
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.69
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

1-(2,5-dimethyl-4-nitrophenyl)pyrrole
CID 103145640
1,4-dimethyl-2-nitrobenzene
CID 20849377
(3aR,7aS)-5,6-dimethyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 845827
3-methyl-1-(4-methyl-3-nitrophenyl)-1,2,4-triazole
CID 166607561
1-(4-methyl-3-nitrophenyl)piperidin-4-amine
CID 62910930
4-methyl-3-nitrophenol
CID 16271
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
1-(4-methyl-3-nitrophenyl)indole-2-carboxylic acid
CID 69378829
2-[1-(4-methyl-3-nitrophenyl)triazol-4-yl]ethanamine
CID 116641573
4-(4-methyl-3-nitrophenyl)morpholin-3-one
CID 165481709
1-(4-methyl-3-nitrophenyl)-4-sulfanylpyrrolidin-2-one
CID 168708909

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-nitrophenyl)pyrrole?
The IUPAC name of 1-(4-methyl-3-nitrophenyl)pyrrole (CID 883573) is 1-(4-methyl-3-nitrophenyl)pyrrole.
What is the SMILES notation for 1-(4-methyl-3-nitrophenyl)pyrrole?
The canonical SMILES for 1-(4-methyl-3-nitrophenyl)pyrrole is Cc1ccc(-n2cccc2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-3-nitrophenyl)pyrrole?
The InChIKey is DODNRNONGJJAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-9-4-5-10(8-11(9)13(14)15)12-6-2-3-7-12/h2-8H,1H3.
What are the key properties of 1-(4-methyl-3-nitrophenyl)pyrrole?
1-(4-methyl-3-nitrophenyl)pyrrole has a molecular weight of 202.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-nitrophenyl)pyrrole is sourced from PubChem (CID 883573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).