1-(4-nitrophenyl)-2,3-dihydropyrrole

C10H10N2O2 — CID 67551933

IUPAC1-(4-nitrophenyl)-2,3-dihydropyrrole
SMILESO=[N+]([O-])c1ccc(N2C=CCC2)cc1
InChIInChI=1S/C10H10N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h1,3-7H,2,8H2
InChIKeyADHYHUKFZGDYIS-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-nitrophenyl)-2,3-dihydropyrrole

1-(4-nitrophenyl)-2,3-dihydropyrrole (PubChem CID 67551933) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2,3-dihydropyrrole
PubChem CID67551933
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(4-nitrophenyl)-2,3-dihydropyrrole
SMILESO=[N+]([O-])c1ccc(N2C=CCC2)cc1
InChIInChI=1S/C10H10N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h1,3-7H,2,8H2
InChIKeyADHYHUKFZGDYIS-UHFFFAOYSA-N
XLogP2.32
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.32
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-nitrophenyl)-2,3-dihydropyrrol-4-olate
CID 172819719
1-[1-(4-nitrophenyl)azetidin-3-yl]piperazine
CID 66195237
1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine
CID 141075149
2-(4-nitrophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56805165
7-(4-nitrophenyl)-7-azabicyclo[4.1.0]heptane
CID 15469334
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
(3R)-3-methyl-1-(4-nitrophenyl)piperidine
CID 7212381
1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63032721
(2R,6R)-2,6-dimethyl-4-(4-nitrophenyl)morpholine
CID 7062388
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
[4-methyl-1-(4-nitrophenyl)piperazin-2-yl]methanol
CID 155147218
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(4-nitrophenyl)-2,3-dihydropyrrole (CID 67551933) is 1-(4-nitrophenyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(4-nitrophenyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(4-nitrophenyl)-2,3-dihydropyrrole is O=[N+]([O-])c1ccc(N2C=CCC2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-2,3-dihydropyrrole?
The InChIKey is ADHYHUKFZGDYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h1,3-7H,2,8H2.
What are the key properties of 1-(4-nitrophenyl)-2,3-dihydropyrrole?
1-(4-nitrophenyl)-2,3-dihydropyrrole has a molecular weight of 190.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2,3-dihydropyrrole is sourced from PubChem (CID 67551933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).