3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole

C12H10N2O2 — CID 67879707

IUPAC3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
SMILESO=[N+]([O-])c1ccc(C=Cc2cc[nH]c2)cc1
InChIInChI=1S/C12H10N2O2/c15-14(16)12-5-3-10(4-6-12)1-2-11-7-8-13-9-11/h1-9,13H
InChIKeyVOSJUIBQZHDIQU-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.09
Rot. Bonds3

About 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole

3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole (PubChem CID 67879707) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
PubChem CID67879707
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
SMILESO=[N+]([O-])c1ccc(C=Cc2cc[nH]c2)cc1
InChIInChI=1S/C12H10N2O2/c15-14(16)12-5-3-10(4-6-12)1-2-11-7-8-13-9-11/h1-9,13H
InChIKeyVOSJUIBQZHDIQU-UHFFFAOYSA-N
XLogP3.09
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.09
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-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole
CID 175851441
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]-4-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 101089692
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
(E)-3-(4-nitrophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385535
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal
CID 92856070
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1,2,3,4,5-pentafluoro-6-[2-(4-nitrophenyl)ethenyl]benzene
CID 73129158

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole?
The IUPAC name of 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole (CID 67879707) is 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole.
What is the SMILES notation for 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole?
The canonical SMILES for 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole is O=[N+]([O-])c1ccc(C=Cc2cc[nH]c2)cc1.
What is the InChIKey of 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole?
The InChIKey is VOSJUIBQZHDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-14(16)12-5-3-10(4-6-12)1-2-11-7-8-13-9-11/h1-9,13H.
What are the key properties of 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole?
3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole has a molecular weight of 214.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole is sourced from PubChem (CID 67879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).