N-methoxy-4H-chromen-3-imine

C10H11NO2 — CID 76683401

IUPACN-methoxy-4H-chromen-3-imine
SMILESCON=C1COc2ccccc2C1
InChIInChI=1S/C10H11NO2/c1-12-11-9-6-8-4-2-3-5-10(8)13-7-9/h2-5H,6-7H2,1H3
InChIKeyDUSRRXGFGLBJPY-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.62
Rot. Bonds1

About N-methoxy-4H-chromen-3-imine

N-methoxy-4H-chromen-3-imine (PubChem CID 76683401) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-methoxy-4H-chromen-3-imine.

Molecular Properties

Compound NameN-methoxy-4H-chromen-3-imine
PubChem CID76683401
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-methoxy-4H-chromen-3-imine
SMILESCON=C1COc2ccccc2C1
InChIInChI=1S/C10H11NO2/c1-12-11-9-6-8-4-2-3-5-10(8)13-7-9/h2-5H,6-7H2,1H3
InChIKeyDUSRRXGFGLBJPY-UHFFFAOYSA-N
XLogP1.62
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.62
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-4H-chromen-3-imine?
The IUPAC name of N-methoxy-4H-chromen-3-imine (CID 76683401) is N-methoxy-4H-chromen-3-imine.
What is the SMILES notation for N-methoxy-4H-chromen-3-imine?
The canonical SMILES for N-methoxy-4H-chromen-3-imine is CON=C1COc2ccccc2C1.
What is the InChIKey of N-methoxy-4H-chromen-3-imine?
The InChIKey is DUSRRXGFGLBJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-12-11-9-6-8-4-2-3-5-10(8)13-7-9/h2-5H,6-7H2,1H3.
What are the key properties of N-methoxy-4H-chromen-3-imine?
N-methoxy-4H-chromen-3-imine has a molecular weight of 177.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4H-chromen-3-imine is sourced from PubChem (CID 76683401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).