N-(4-pyrrol-1-ylphenyl)nitramide

C10H9N3O2 — CID 150962899

IUPACN-(4-pyrrol-1-ylphenyl)nitramide
SMILESO=[N+]([O-])Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C10H9N3O2/c14-13(15)11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8,11H
InChIKeyLMLYICVMHGBDNT-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.08
Rot. Bonds3

About N-(4-pyrrol-1-ylphenyl)nitramide

N-(4-pyrrol-1-ylphenyl)nitramide (PubChem CID 150962899) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-(4-pyrrol-1-ylphenyl)nitramide.

Molecular Properties

Compound NameN-(4-pyrrol-1-ylphenyl)nitramide
PubChem CID150962899
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-(4-pyrrol-1-ylphenyl)nitramide
SMILESO=[N+]([O-])Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C10H9N3O2/c14-13(15)11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8,11H
InChIKeyLMLYICVMHGBDNT-UHFFFAOYSA-N
XLogP2.08
TPSA60.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[(Z)-(4-pyrrol-1-ylphenyl)methylideneamino]aniline
CID 40606782
(4-pyrrol-1-ylanilino)methanethiol
CID 59517983
4-oxo-4-(4-pyrrol-1-ylanilino)butanoic acid
CID 110471076
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
methyl N-(4-pyrrol-1-ylphenyl)carbamate
CID 110726346
1-(4-methyl-3-nitrophenyl)pyrrole
CID 883573
N'-(4-pyrrol-1-ylphenyl)ethane-1,2-diamine
CID 84670175
(E)-N-(4-pyrrol-1-ylphenyl)but-2-enamide
CID 110470241
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrol-1-ylphenyl)nitramide?
The IUPAC name of N-(4-pyrrol-1-ylphenyl)nitramide (CID 150962899) is N-(4-pyrrol-1-ylphenyl)nitramide.
What is the SMILES notation for N-(4-pyrrol-1-ylphenyl)nitramide?
The canonical SMILES for N-(4-pyrrol-1-ylphenyl)nitramide is O=[N+]([O-])Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(4-pyrrol-1-ylphenyl)nitramide?
The InChIKey is LMLYICVMHGBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-13(15)11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8,11H.
What are the key properties of N-(4-pyrrol-1-ylphenyl)nitramide?
N-(4-pyrrol-1-ylphenyl)nitramide has a molecular weight of 203.20 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrol-1-ylphenyl)nitramide is sourced from PubChem (CID 150962899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).