4-methyl-2-(4-nitrophenyl)-1H-pyrrole

C11H10N2O2 — CID 102097290

IUPAC4-methyl-2-(4-nitrophenyl)-1H-pyrrole
SMILESCc1c[nH]c(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C11H10N2O2/c1-8-6-11(12-7-8)9-2-4-10(5-3-9)13(14)15/h2-7,12H,1H3
InChIKeyHVOLKVKMKPKJFT-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.90
Rot. Bonds2

About 4-methyl-2-(4-nitrophenyl)-1H-pyrrole

4-methyl-2-(4-nitrophenyl)-1H-pyrrole (PubChem CID 102097290) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-methyl-2-(4-nitrophenyl)-1H-pyrrole.

Molecular Properties

Compound Name4-methyl-2-(4-nitrophenyl)-1H-pyrrole
PubChem CID102097290
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-methyl-2-(4-nitrophenyl)-1H-pyrrole
SMILESCc1c[nH]c(-c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C11H10N2O2/c1-8-6-11(12-7-8)9-2-4-10(5-3-9)13(14)15/h2-7,12H,1H3
InChIKeyHVOLKVKMKPKJFT-UHFFFAOYSA-N
XLogP2.90
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
5-methyl-2-(4-nitrophenyl)-1H-indole
CID 70116809
1-methyl-4-nitrobenzene tritetrafluoroborate
CID 175186870
2-chloro-4-(4-nitrophenyl)-1H-pyrrole
CID 143271381
4-methylphenol;4-nitrophenol
CID 68529378
ethanol;1-methyl-4-nitrobenzene
CID 91088173
3-(3-nitrophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 2179703
4-[4-(4-nitrophenyl)-1H-pyrrol-2-yl]-2,6-dipropylphenol
CID 57211478
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
CID 121230197

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-nitrophenyl)-1H-pyrrole?
The IUPAC name of 4-methyl-2-(4-nitrophenyl)-1H-pyrrole (CID 102097290) is 4-methyl-2-(4-nitrophenyl)-1H-pyrrole.
What is the SMILES notation for 4-methyl-2-(4-nitrophenyl)-1H-pyrrole?
The canonical SMILES for 4-methyl-2-(4-nitrophenyl)-1H-pyrrole is Cc1c[nH]c(-c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 4-methyl-2-(4-nitrophenyl)-1H-pyrrole?
The InChIKey is HVOLKVKMKPKJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-6-11(12-7-8)9-2-4-10(5-3-9)13(14)15/h2-7,12H,1H3.
What are the key properties of 4-methyl-2-(4-nitrophenyl)-1H-pyrrole?
4-methyl-2-(4-nitrophenyl)-1H-pyrrole has a molecular weight of 202.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-nitrophenyl)-1H-pyrrole is sourced from PubChem (CID 102097290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).