4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene

C10H11NO3 — CID 53341761

IUPAC4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO3/c1-7(2)9-6-8(14-3)4-5-10(9)11(12)13/h4-6H,1H2,2-3H3
InChIKeyGJCSWMZYZGAIRD-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.64
Rot. Bonds3

About 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene

4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene (PubChem CID 53341761) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
PubChem CID53341761
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO3/c1-7(2)9-6-8(14-3)4-5-10(9)11(12)13/h4-6H,1H2,2-3H3
InChIKeyGJCSWMZYZGAIRD-UHFFFAOYSA-N
XLogP2.64
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
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

2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone
CID 21275738
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
ethane;5-methoxy-2-nitrophenol
CID 143133372
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
(2S)-2-[(5-methoxy-2-nitrobenzoyl)amino]propanoic acid
CID 119238250
2-methylprop-2-enyl 4-methoxy-2-nitrobenzoate
CID 125486354
2-chloro-1-(4-nitro-3-prop-1-en-2-ylphenoxy)-4-(trifluoromethyl)benzene
CID 14255807
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
CID 47844867
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene?
The IUPAC name of 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene (CID 53341761) is 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene is C=C(C)c1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene?
The InChIKey is GJCSWMZYZGAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(2)9-6-8(14-3)4-5-10(9)11(12)13/h4-6H,1H2,2-3H3.
What are the key properties of 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene?
4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene has a molecular weight of 193.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 53341761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).