N-[4-[(E)-2-nitroethenyl]phenyl]acetamide

C10H10N2O3 — CID 5381768

IUPACN-[4-[(E)-2-nitroethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O3/c1-8(13)11-10-4-2-9(3-5-10)6-7-12(14)15/h2-7H,1H3,(H,11,13)/b7-6+
InChIKeyBWLIIZFNXSJVLW-VOTSOKGWSA-N
MW206.20 g/mol
LogP1.89
Rot. Bonds3

About N-[4-[(E)-2-nitroethenyl]phenyl]acetamide

N-[4-[(E)-2-nitroethenyl]phenyl]acetamide (PubChem CID 5381768) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-[4-[(E)-2-nitroethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-nitroethenyl]phenyl]acetamide
PubChem CID5381768
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-[4-[(E)-2-nitroethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O3/c1-8(13)11-10-4-2-9(3-5-10)6-7-12(14)15/h2-7H,1H3,(H,11,13)/b7-6+
InChIKeyBWLIIZFNXSJVLW-VOTSOKGWSA-N
XLogP1.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(3-Methylphenyl)acetamide
CID 10843
4-Methylacetanilide
CID 7684
N-acetyl-o-toluidine
CID 8443
N-(2,4-Dimethylphenyl)acetamide
CID 16303
Acetylbenzidine
CID 18787
4-Nitroacetanilide
CID 7691
O-Ethylacetanilide
CID 36332
4-Acetamidophenylacetonitrile
CID 289748
N-(4-cyanophenyl)acetamide
CID 37256
N-[4-(trifluoromethyl)phenyl]acetamide
CID 67685
Acetamide, N-(4-butylphenyl)-
CID 77227
N,N-Dimethyl-4-[(E)-2-nitroethenyl]aniline
CID 774089

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-nitroethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-nitroethenyl]phenyl]acetamide (CID 5381768) is N-[4-[(E)-2-nitroethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-nitroethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-nitroethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[(E)-2-nitroethenyl]phenyl]acetamide?
The InChIKey is BWLIIZFNXSJVLW-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-8(13)11-10-4-2-9(3-5-10)6-7-12(14)15/h2-7H,1H3,(H,11,13)/b7-6+.
What are the key properties of N-[4-[(E)-2-nitroethenyl]phenyl]acetamide?
N-[4-[(E)-2-nitroethenyl]phenyl]acetamide has a molecular weight of 206.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-nitroethenyl]phenyl]acetamide is sourced from PubChem (CID 5381768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).