5-methoxy-3-nitro-2H-chromene

C10H9NO4 — CID 13266325

IUPAC5-methoxy-3-nitro-2H-chromene
SMILESCOc1cccc2c1C=C([N+](=O)[O-])CO2
InChIInChI=1S/C10H9NO4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-5H,6H2,1H3
InChIKeyWMCOCZRHXSXZBH-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.71
Rot. Bonds2

About 5-methoxy-3-nitro-2H-chromene

5-methoxy-3-nitro-2H-chromene (PubChem CID 13266325) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-methoxy-3-nitro-2H-chromene.

Molecular Properties

Compound Name5-methoxy-3-nitro-2H-chromene
PubChem CID13266325
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name5-methoxy-3-nitro-2H-chromene
SMILESCOc1cccc2c1C=C([N+](=O)[O-])CO2
InChIInChI=1S/C10H9NO4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-5H,6H2,1H3
InChIKeyWMCOCZRHXSXZBH-UHFFFAOYSA-N
XLogP1.71
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-nitro-2H-chromene?
The IUPAC name of 5-methoxy-3-nitro-2H-chromene (CID 13266325) is 5-methoxy-3-nitro-2H-chromene.
What is the SMILES notation for 5-methoxy-3-nitro-2H-chromene?
The canonical SMILES for 5-methoxy-3-nitro-2H-chromene is COc1cccc2c1C=C([N+](=O)[O-])CO2.
What is the InChIKey of 5-methoxy-3-nitro-2H-chromene?
The InChIKey is WMCOCZRHXSXZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-14-9-3-2-4-10-8(9)5-7(6-15-10)11(12)13/h2-5H,6H2,1H3.
What are the key properties of 5-methoxy-3-nitro-2H-chromene?
5-methoxy-3-nitro-2H-chromene has a molecular weight of 207.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-nitro-2H-chromene is sourced from PubChem (CID 13266325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).