[(Z)-1,2-dinitroprop-1-enyl]benzene

C9H8N2O4 — CID 142001614

IUPAC[(Z)-1,2-dinitroprop-1-enyl]benzene
SMILESC/C(=C(\c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C9H8N2O4/c1-7(10(12)13)9(11(14)15)8-5-3-2-4-6-8/h2-6H,1H3/b9-7-
InChIKeyRJIXBYBWNAFXMR-CLFYSBASSA-N
MW208.17 g/mol
LogP1.93
Rot. Bonds3

About [(Z)-1,2-dinitroprop-1-enyl]benzene

[(Z)-1,2-dinitroprop-1-enyl]benzene (PubChem CID 142001614) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is [(Z)-1,2-dinitroprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-1,2-dinitroprop-1-enyl]benzene
PubChem CID142001614
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name[(Z)-1,2-dinitroprop-1-enyl]benzene
SMILESC/C(=C(\c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C9H8N2O4/c1-7(10(12)13)9(11(14)15)8-5-3-2-4-6-8/h2-6H,1H3/b9-7-
InChIKeyRJIXBYBWNAFXMR-CLFYSBASSA-N
XLogP1.93
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[nitro(phenyl)methylidene]propanedioic acid
CID 154443688
3-(1,2-dinitro-2-phenylethenyl)-2-nitrophenol
CID 175293725
nitromethane;1-phenylethanone
CID 91277497
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
[(Z)-2-nitro-1,2-diphenylethenyl] thiocyanate
CID 14814558
1-nitro-2-phenylethene-1,2-diol
CID 139815015
(Z)-4-nitro-4-phenylbut-3-en-2-one
CID 6439839
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
1-(1-nitro-2,2-diphenylethenyl)-4-(trifluoromethyl)benzene
CID 162534891
(NZ)-N-(2-nitro-1-phenylpropylidene)hydroxylamine
CID 172934456
[(E)-1,2-diiodo-2-nitroethenyl]benzene
CID 10716017

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-dinitroprop-1-enyl]benzene?
The IUPAC name of [(Z)-1,2-dinitroprop-1-enyl]benzene (CID 142001614) is [(Z)-1,2-dinitroprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-1,2-dinitroprop-1-enyl]benzene?
The canonical SMILES for [(Z)-1,2-dinitroprop-1-enyl]benzene is C/C(=C(\c1ccccc1)[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of [(Z)-1,2-dinitroprop-1-enyl]benzene?
The InChIKey is RJIXBYBWNAFXMR-CLFYSBASSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-7(10(12)13)9(11(14)15)8-5-3-2-4-6-8/h2-6H,1H3/b9-7-.
What are the key properties of [(Z)-1,2-dinitroprop-1-enyl]benzene?
[(Z)-1,2-dinitroprop-1-enyl]benzene has a molecular weight of 208.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-dinitroprop-1-enyl]benzene is sourced from PubChem (CID 142001614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).