5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide

C11H13NO2 — CID 11030624

IUPAC5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
SMILESCOc1ccc2c(c1)CC/C2=[N+](\C)[O-]
InChIInChI=1S/C11H13NO2/c1-12(13)11-6-3-8-7-9(14-2)4-5-10(8)11/h4-5,7H,3,6H2,1-2H3/b12-11-
InChIKeyFLNVQILBBGYQNG-QXMHVHEDSA-N
MW191.23 g/mol
LogP1.57
Rot. Bonds1

About 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide

5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide (PubChem CID 11030624) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide.

Molecular Properties

Compound Name5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
PubChem CID11030624
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
SMILESCOc1ccc2c(c1)CC/C2=[N+](\C)[O-]
InChIInChI=1S/C11H13NO2/c1-12(13)11-6-3-8-7-9(14-2)4-5-10(8)11/h4-5,7H,3,6H2,1-2H3/b12-11-
InChIKeyFLNVQILBBGYQNG-QXMHVHEDSA-N
XLogP1.57
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide?
The IUPAC name of 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide (CID 11030624) is 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide.
What is the SMILES notation for 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide?
The canonical SMILES for 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide is COc1ccc2c(c1)CC/C2=[N+](\C)[O-].
What is the InChIKey of 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide?
The InChIKey is FLNVQILBBGYQNG-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12(13)11-6-3-8-7-9(14-2)4-5-10(8)11/h4-5,7H,3,6H2,1-2H3/b12-11-.
What are the key properties of 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide?
5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide has a molecular weight of 191.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide is sourced from PubChem (CID 11030624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).