1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate

C10H9N2O3- — CID 172819719

IUPAC1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate
SMILESO=[N+]([O-])c1ccc(N2C=C([O-])CC2)cc1
InChIInChI=1S/C10H10N2O3/c13-10-5-6-11(7-10)8-1-3-9(4-2-8)12(14)15/h1-4,7,13H,5-6H2/p-1
InChIKeyOAGBJIZCGCMWHF-UHFFFAOYSA-M
MW205.19 g/mol
LogP1.01
Rot. Bonds2

About 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate

1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate (PubChem CID 172819719) has the molecular formula C10H9N2O3- and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate
PubChem CID172819719
Molecular FormulaC10H9N2O3-
Molecular Weight205.19 g/mol
Exact Mass205.06
IUPAC Name1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate
SMILESO=[N+]([O-])c1ccc(N2C=C([O-])CC2)cc1
InChIInChI=1S/C10H10N2O3/c13-10-5-6-11(7-10)8-1-3-9(4-2-8)12(14)15/h1-4,7,13H,5-6H2/p-1
InChIKeyOAGBJIZCGCMWHF-UHFFFAOYSA-M
XLogP1.01
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dihydropyrrole
CID 67551933
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
1-(4-nitrophenyl)azepan-2-one
CID 58962770
1-[4-(4-nitrophenyl)phenyl]piperidine
CID 22899688
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 28913887
1-methanidyl-4-(4-nitrophenyl)piperazin-1-ium
CID 20723203
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
7-(4-nitrophenyl)-7-azabicyclo[4.1.0]heptane
CID 15469334
4-ethyl-1-(4-nitrophenyl)-1,4λ5-azaphosphinane 4-oxide
CID 58071323
1-(2-fluorophenyl)-4-(4-nitrophenyl)piperazine
CID 3124723
2-[4-(4-nitrophenyl)piperazin-1-yl]acetic acid
CID 43397285

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate?
The IUPAC name of 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate (CID 172819719) is 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate.
What is the SMILES notation for 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate?
The canonical SMILES for 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate is O=[N+]([O-])c1ccc(N2C=C([O-])CC2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate?
The InChIKey is OAGBJIZCGCMWHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O3/c13-10-5-6-11(7-10)8-1-3-9(4-2-8)12(14)15/h1-4,7,13H,5-6H2/p-1.
What are the key properties of 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate?
1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate has a molecular weight of 205.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2,3-dihydropyrrol-4-olate is sourced from PubChem (CID 172819719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).