6-methoxy-1H-isochromen-4-imine

C10H11NO2 — CID 134227809

IUPAC6-methoxy-1H-isochromen-4-imine
SMILES[H]/N=C1\COCc2ccc(OC)cc21
InChIInChI=1S/C10H11NO2/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,11H,5-6H2,1H3/b11-10+
InChIKeyXBVAEMUNSLNJCL-ZHACJKMWSA-N
MW177.20 g/mol
LogP1.59
Rot. Bonds1

About 6-methoxy-1H-isochromen-4-imine

6-methoxy-1H-isochromen-4-imine (PubChem CID 134227809) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-methoxy-1H-isochromen-4-imine.

Molecular Properties

Compound Name6-methoxy-1H-isochromen-4-imine
PubChem CID134227809
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-methoxy-1H-isochromen-4-imine
SMILES[H]/N=C1\COCc2ccc(OC)cc21
InChIInChI=1S/C10H11NO2/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,11H,5-6H2,1H3/b11-10+
InChIKeyXBVAEMUNSLNJCL-ZHACJKMWSA-N
XLogP1.59
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-isochromen-4-imine?
The IUPAC name of 6-methoxy-1H-isochromen-4-imine (CID 134227809) is 6-methoxy-1H-isochromen-4-imine.
What is the SMILES notation for 6-methoxy-1H-isochromen-4-imine?
The canonical SMILES for 6-methoxy-1H-isochromen-4-imine is [H]/N=C1\COCc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-1H-isochromen-4-imine?
The InChIKey is XBVAEMUNSLNJCL-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-12-8-3-2-7-5-13-6-10(11)9(7)4-8/h2-4,11H,5-6H2,1H3/b11-10+.
What are the key properties of 6-methoxy-1H-isochromen-4-imine?
6-methoxy-1H-isochromen-4-imine has a molecular weight of 177.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-isochromen-4-imine is sourced from PubChem (CID 134227809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).