1,2-bis(ethenyl)-3-methyl-5-nitrobenzene

C11H11NO2 — CID 142394225

IUPAC1,2-bis(ethenyl)-3-methyl-5-nitrobenzene
SMILESC=Cc1cc([N+](=O)[O-])cc(C)c1C=C
InChIInChI=1S/C11H11NO2/c1-4-9-7-10(12(13)14)6-8(3)11(9)5-2/h4-7H,1-2H2,3H3
InChIKeyIPWGWVRGLLCETQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP3.19
Rot. Bonds3

About 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene

1,2-bis(ethenyl)-3-methyl-5-nitrobenzene (PubChem CID 142394225) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3-methyl-5-nitrobenzene
PubChem CID142394225
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1,2-bis(ethenyl)-3-methyl-5-nitrobenzene
SMILESC=Cc1cc([N+](=O)[O-])cc(C)c1C=C
InChIInChI=1S/C11H11NO2/c1-4-9-7-10(12(13)14)6-8(3)11(9)5-2/h4-7H,1-2H2,3H3
InChIKeyIPWGWVRGLLCETQ-UHFFFAOYSA-N
XLogP3.19
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,2-dimethyl-5-nitro-3-[(Z)-prop-1-enyl]benzene
CID 138501146
2-fluoro-6-methyl-4-nitrobenzaldehyde
CID 131125676
2,6-dimethyl-4-nitrophenolate
CID 6993803
2-butyl-6-methyl-4-nitrobenzenethiol
CID 173435512
1,3-dimethyl-5-nitro-2-propan-2-ylbenzene
CID 58451641
2,6-dimethyl-4-nitrophenol;ethane;methane
CID 143297334
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824
N-(2,6-dimethyl-4-nitrophenyl)methanesulfonamide
CID 2972028
(2,6-dimethyl-4-nitrophenyl)boronic acid
CID 130120841
(E)-3-(2-fluoro-6-methyl-4-nitrophenyl)prop-2-enoic acid
CID 134620420
2,6-dimethyl-4-nitrobenzenesulfonohydrazide
CID 70663598
sodium 2-methyl-4-nitrobenzenesulfonate
CID 517339

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene?
The IUPAC name of 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene (CID 142394225) is 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene.
What is the SMILES notation for 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene?
The canonical SMILES for 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene is C=Cc1cc([N+](=O)[O-])cc(C)c1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene?
The InChIKey is IPWGWVRGLLCETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-4-9-7-10(12(13)14)6-8(3)11(9)5-2/h4-7H,1-2H2,3H3.
What are the key properties of 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene?
1,2-bis(ethenyl)-3-methyl-5-nitrobenzene has a molecular weight of 189.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3-methyl-5-nitrobenzene is sourced from PubChem (CID 142394225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).