1-methoxy-2-(2-nitroethenyl)naphthalene

C13H11NO3 — CID 171137628

IUPAC1-methoxy-2-(2-nitroethenyl)naphthalene
SMILESCOc1c(C=C[N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C13H11NO3/c1-17-13-11(8-9-14(15)16)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3
InChIKeyIVQXPIIBHSNRNE-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.10
Rot. Bonds3

About 1-methoxy-2-(2-nitroethenyl)naphthalene

1-methoxy-2-(2-nitroethenyl)naphthalene (PubChem CID 171137628) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methoxy-2-(2-nitroethenyl)naphthalene.

Molecular Properties

Compound Name1-methoxy-2-(2-nitroethenyl)naphthalene
PubChem CID171137628
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-methoxy-2-(2-nitroethenyl)naphthalene
SMILESCOc1c(C=C[N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C13H11NO3/c1-17-13-11(8-9-14(15)16)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3
InChIKeyIVQXPIIBHSNRNE-UHFFFAOYSA-N
XLogP3.10
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-nitroethenyl)naphthalene?
The IUPAC name of 1-methoxy-2-(2-nitroethenyl)naphthalene (CID 171137628) is 1-methoxy-2-(2-nitroethenyl)naphthalene.
What is the SMILES notation for 1-methoxy-2-(2-nitroethenyl)naphthalene?
The canonical SMILES for 1-methoxy-2-(2-nitroethenyl)naphthalene is COc1c(C=C[N+](=O)[O-])ccc2ccccc12.
What is the InChIKey of 1-methoxy-2-(2-nitroethenyl)naphthalene?
The InChIKey is IVQXPIIBHSNRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13-11(8-9-14(15)16)7-6-10-4-2-3-5-12(10)13/h2-9H,1H3.
What are the key properties of 1-methoxy-2-(2-nitroethenyl)naphthalene?
1-methoxy-2-(2-nitroethenyl)naphthalene has a molecular weight of 229.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-nitroethenyl)naphthalene is sourced from PubChem (CID 171137628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).