2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline

C11H10N4O2 — CID 135620066

IUPAC2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline
SMILESO=[N+]([O-])c1ccccc1N/N=C/c1ccc[nH]1
InChIInChI=1S/C11H10N4O2/c16-15(17)11-6-2-1-5-10(11)14-13-8-9-4-3-7-12-9/h1-8,12,14H/b13-8+
InChIKeyBRVZORSDYBLFIJ-MDWZMJQESA-N
MW230.23 g/mol
LogP2.37
Rot. Bonds4

About 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline

2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline (PubChem CID 135620066) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline.

Molecular Properties

Compound Name2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline
PubChem CID135620066
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline
SMILESO=[N+]([O-])c1ccccc1N/N=C/c1ccc[nH]1
InChIInChI=1S/C11H10N4O2/c16-15(17)11-6-2-1-5-10(11)14-13-8-9-4-3-7-12-9/h1-8,12,14H/b13-8+
InChIKeyBRVZORSDYBLFIJ-MDWZMJQESA-N
XLogP2.37
TPSA83.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-4-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 135752106
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 135810238
N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-nitroaniline
CID 135580611
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-nitroaniline
CID 4567165
4-nitro-2-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7311295
4-chloro-2-nitro-6-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenolate
CID 7415322
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
CID 6131807
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-nitroaniline
CID 9059022
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 136851968
4-chloro-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 3407226

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline?
The IUPAC name of 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline (CID 135620066) is 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline.
What is the SMILES notation for 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline?
The canonical SMILES for 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline is O=[N+]([O-])c1ccccc1N/N=C/c1ccc[nH]1.
What is the InChIKey of 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline?
The InChIKey is BRVZORSDYBLFIJ-MDWZMJQESA-N. The full InChI is InChI=1S/C11H10N4O2/c16-15(17)11-6-2-1-5-10(11)14-13-8-9-4-3-7-12-9/h1-8,12,14H/b13-8+.
What are the key properties of 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline?
2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline has a molecular weight of 230.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]aniline is sourced from PubChem (CID 135620066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).