N-[(E)-2-(4-nitrophenyl)ethenyl]formamide

C9H8N2O3 — CID 90679979

IUPACN-[(E)-2-(4-nitrophenyl)ethenyl]formamide
SMILESO=CN/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N2O3/c12-7-10-6-5-8-1-3-9(4-2-8)11(13)14/h1-7H,(H,10,12)/b6-5+
InChIKeyVTQOBYJJYQYDCI-AATRIKPKSA-N
MW192.17 g/mol
LogP1.31
Rot. Bonds4

About N-[(E)-2-(4-nitrophenyl)ethenyl]formamide

N-[(E)-2-(4-nitrophenyl)ethenyl]formamide (PubChem CID 90679979) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is N-[(E)-2-(4-nitrophenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(4-nitrophenyl)ethenyl]formamide
PubChem CID90679979
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC NameN-[(E)-2-(4-nitrophenyl)ethenyl]formamide
SMILESO=CN/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N2O3/c12-7-10-6-5-8-1-3-9(4-2-8)11(13)14/h1-7H,(H,10,12)/b6-5+
InChIKeyVTQOBYJJYQYDCI-AATRIKPKSA-N
XLogP1.31
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-nitrophenyl)ethenyl]formamide?
The IUPAC name of N-[(E)-2-(4-nitrophenyl)ethenyl]formamide (CID 90679979) is N-[(E)-2-(4-nitrophenyl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(4-nitrophenyl)ethenyl]formamide?
The canonical SMILES for N-[(E)-2-(4-nitrophenyl)ethenyl]formamide is O=CN/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-2-(4-nitrophenyl)ethenyl]formamide?
The InChIKey is VTQOBYJJYQYDCI-AATRIKPKSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-7-10-6-5-8-1-3-9(4-2-8)11(13)14/h1-7H,(H,10,12)/b6-5+.
What are the key properties of N-[(E)-2-(4-nitrophenyl)ethenyl]formamide?
N-[(E)-2-(4-nitrophenyl)ethenyl]formamide has a molecular weight of 192.17 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-nitrophenyl)ethenyl]formamide is sourced from PubChem (CID 90679979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).