(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide

C12H12N2O3 — CID 11436192

IUPAC(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N2O3/c1-2-3-4-9-12(15)13-10-7-5-6-8-11(10)14(16)17/h2-9H,1H3,(H,13,15)/b3-2+,9-4+
InChIKeyOQNFVMRNJDMRDI-DSXPNFDZSA-N
MW232.24 g/mol
LogP2.67
Rot. Bonds4

About (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide

(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide (PubChem CID 11436192) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide
PubChem CID11436192
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N2O3/c1-2-3-4-9-12(15)13-10-7-5-6-8-11(10)14(16)17/h2-9H,1H3,(H,13,15)/b3-2+,9-4+
InChIKeyOQNFVMRNJDMRDI-DSXPNFDZSA-N
XLogP2.67
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 92909271
2-[2-(hexa-2,4-dienoylamino)phenyl]acetic acid
CID 76946219
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
CID 26696924
1,1-dimethyl-3-(2-nitrophenyl)thiourea
CID 60641037
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide (CID 11436192) is (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide?
The InChIKey is OQNFVMRNJDMRDI-DSXPNFDZSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-3-4-9-12(15)13-10-7-5-6-8-11(10)14(16)17/h2-9H,1H3,(H,13,15)/b3-2+,9-4+.
What are the key properties of (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide has a molecular weight of 232.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide is sourced from PubChem (CID 11436192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).