N-methyl-1-(4-oxochromen-3-yl)methanimine oxide

C11H9NO3 — CID 1480882

IUPACN-methyl-1-(4-oxochromen-3-yl)methanimine oxide
SMILESC/[N+]([O-])=C/c1coc2ccccc2c1=O
InChIInChI=1S/C11H9NO3/c1-12(14)6-8-7-15-10-5-3-2-4-9(10)11(8)13/h2-7H,1H3/b12-6-
InChIKeyKRFHOENCKPLDTF-SDQBBNPISA-N
MW203.20 g/mol
LogP1.35
Rot. Bonds1

About N-methyl-1-(4-oxochromen-3-yl)methanimine oxide

N-methyl-1-(4-oxochromen-3-yl)methanimine oxide (PubChem CID 1480882) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-methyl-1-(4-oxochromen-3-yl)methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(4-oxochromen-3-yl)methanimine oxide
PubChem CID1480882
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC NameN-methyl-1-(4-oxochromen-3-yl)methanimine oxide
SMILESC/[N+]([O-])=C/c1coc2ccccc2c1=O
InChIInChI=1S/C11H9NO3/c1-12(14)6-8-7-15-10-5-3-2-4-9(10)11(8)13/h2-7H,1H3/b12-6-
InChIKeyKRFHOENCKPLDTF-SDQBBNPISA-N
XLogP1.35
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-oxochromen-3-yl)methanimine oxide?
The IUPAC name of N-methyl-1-(4-oxochromen-3-yl)methanimine oxide (CID 1480882) is N-methyl-1-(4-oxochromen-3-yl)methanimine oxide.
What is the SMILES notation for N-methyl-1-(4-oxochromen-3-yl)methanimine oxide?
The canonical SMILES for N-methyl-1-(4-oxochromen-3-yl)methanimine oxide is C/[N+]([O-])=C/c1coc2ccccc2c1=O.
What is the InChIKey of N-methyl-1-(4-oxochromen-3-yl)methanimine oxide?
The InChIKey is KRFHOENCKPLDTF-SDQBBNPISA-N. The full InChI is InChI=1S/C11H9NO3/c1-12(14)6-8-7-15-10-5-3-2-4-9(10)11(8)13/h2-7H,1H3/b12-6-.
What are the key properties of N-methyl-1-(4-oxochromen-3-yl)methanimine oxide?
N-methyl-1-(4-oxochromen-3-yl)methanimine oxide has a molecular weight of 203.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-oxochromen-3-yl)methanimine oxide is sourced from PubChem (CID 1480882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).