N-[(2-nitrophenyl)methylideneamino]formamide

C8H7N3O3 — CID 2795189

IUPACN-[(2-nitrophenyl)methylideneamino]formamide
SMILESO=CNN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O3/c12-6-10-9-5-7-3-1-2-4-8(7)11(13)14/h1-6H,(H,10,12)
InChIKeyKHKHDOACOYRTMQ-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.67
Rot. Bonds4

About N-[(2-nitrophenyl)methylideneamino]formamide

N-[(2-nitrophenyl)methylideneamino]formamide (PubChem CID 2795189) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methylideneamino]formamide.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methylideneamino]formamide
PubChem CID2795189
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC NameN-[(2-nitrophenyl)methylideneamino]formamide
SMILESO=CNN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O3/c12-6-10-9-5-7-3-1-2-4-8(7)11(13)14/h1-6H,(H,10,12)
InChIKeyKHKHDOACOYRTMQ-UHFFFAOYSA-N
XLogP0.67
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-nitrophenyl)methylideneamino]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(2-nitrophenyl)methylideneamino]propan-2-amine;hydrochloride
CID 73242777
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623
4-N-[(E)-(2-nitrophenyl)methylideneamino]-1-N-[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 92534203
sodium 2-nitrobenzaldehyde
CID 23669302
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
N-[(2-nitrophenyl)methylidene]benzenesulfonamide
CID 27877970
ethane;2-nitrobenzaldehyde
CID 91029364

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methylideneamino]formamide?
The IUPAC name of N-[(2-nitrophenyl)methylideneamino]formamide (CID 2795189) is N-[(2-nitrophenyl)methylideneamino]formamide.
What is the SMILES notation for N-[(2-nitrophenyl)methylideneamino]formamide?
The canonical SMILES for N-[(2-nitrophenyl)methylideneamino]formamide is O=CNN=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-nitrophenyl)methylideneamino]formamide?
The InChIKey is KHKHDOACOYRTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-6-10-9-5-7-3-1-2-4-8(7)11(13)14/h1-6H,(H,10,12).
What are the key properties of N-[(2-nitrophenyl)methylideneamino]formamide?
N-[(2-nitrophenyl)methylideneamino]formamide has a molecular weight of 193.16 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methylideneamino]formamide is sourced from PubChem (CID 2795189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).