1-(2,5-dimethyl-4-nitrophenyl)pyrrole

C12H12N2O2 — CID 103145640

IUPAC1-(2,5-dimethyl-4-nitrophenyl)pyrrole
SMILESCc1cc([N+](=O)[O-])c(C)cc1-n1cccc1
InChIInChI=1S/C12H12N2O2/c1-9-8-12(14(15)16)10(2)7-11(9)13-5-3-4-6-13/h3-8H,1-2H3
InChIKeyDUIMTMLETSOLCM-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.00
Rot. Bonds2

About 1-(2,5-dimethyl-4-nitrophenyl)pyrrole

1-(2,5-dimethyl-4-nitrophenyl)pyrrole (PubChem CID 103145640) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-nitrophenyl)pyrrole.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-nitrophenyl)pyrrole
PubChem CID103145640
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(2,5-dimethyl-4-nitrophenyl)pyrrole
SMILESCc1cc([N+](=O)[O-])c(C)cc1-n1cccc1
InChIInChI=1S/C12H12N2O2/c1-9-8-12(14(15)16)10(2)7-11(9)13-5-3-4-6-13/h3-8H,1-2H3
InChIKeyDUIMTMLETSOLCM-UHFFFAOYSA-N
XLogP3.00
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.00
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-(4-methyl-3-nitrophenyl)pyrrole
CID 883573
5-methyl-2,4-dinitrobenzenethiol
CID 58962383
1-methyl-2-nitro-4,5-dinitrosobenzene
CID 3321739
5-chloro-2-nitro-4-pyrrol-1-ylaniline
CID 18548859
S-[1-(2,5-dimethyl-4-nitrophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705727
2-[1-(2,5-dimethyl-4-nitrophenyl)triazol-4-yl]propan-2-amine
CID 103145697
1-(2,5-dimethyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 103144824
2-amino-5-methyl-4-nitrobenzaldehyde
CID 20585942
1-[1-(2,5-dimethyl-4-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
CID 103145735
4-(aminomethyl)-1-(2,5-dimethyl-4-nitrophenyl)pyrrolidin-2-one
CID 168659978
1-[2-chloro-5-(4-methylphenyl)sulfanyl-4-nitrophenyl]pyrrole
CID 2728526
1-ethyl-2,4-dimethyl-5-nitrobenzene
CID 20695705

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-nitrophenyl)pyrrole?
The IUPAC name of 1-(2,5-dimethyl-4-nitrophenyl)pyrrole (CID 103145640) is 1-(2,5-dimethyl-4-nitrophenyl)pyrrole.
What is the SMILES notation for 1-(2,5-dimethyl-4-nitrophenyl)pyrrole?
The canonical SMILES for 1-(2,5-dimethyl-4-nitrophenyl)pyrrole is Cc1cc([N+](=O)[O-])c(C)cc1-n1cccc1.
What is the InChIKey of 1-(2,5-dimethyl-4-nitrophenyl)pyrrole?
The InChIKey is DUIMTMLETSOLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-8-12(14(15)16)10(2)7-11(9)13-5-3-4-6-13/h3-8H,1-2H3.
What are the key properties of 1-(2,5-dimethyl-4-nitrophenyl)pyrrole?
1-(2,5-dimethyl-4-nitrophenyl)pyrrole has a molecular weight of 216.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-nitrophenyl)pyrrole is sourced from PubChem (CID 103145640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).