N-methyl-3-oxo-1H-inden-2-imine oxide

C10H9NO2 — CID 660555

IUPACN-methyl-3-oxo-1H-inden-2-imine oxide
SMILESC/[N+]([O-])=C1\Cc2ccccc2C1=O
InChIInChI=1S/C10H9NO2/c1-11(13)9-6-7-4-2-3-5-8(7)10(9)12/h2-5H,6H2,1H3/b11-9-
InChIKeyRNLIIFJCSRVMAO-LUAWRHEFSA-N
MW175.19 g/mol
LogP1.01
Rot. Bonds

About N-methyl-3-oxo-1H-inden-2-imine oxide

N-methyl-3-oxo-1H-inden-2-imine oxide (PubChem CID 660555) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-methyl-3-oxo-1H-inden-2-imine oxide.

Molecular Properties

Compound NameN-methyl-3-oxo-1H-inden-2-imine oxide
PubChem CID660555
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC NameN-methyl-3-oxo-1H-inden-2-imine oxide
SMILESC/[N+]([O-])=C1\Cc2ccccc2C1=O
InChIInChI=1S/C10H9NO2/c1-11(13)9-6-7-4-2-3-5-8(7)10(9)12/h2-5H,6H2,1H3/b11-9-
InChIKeyRNLIIFJCSRVMAO-LUAWRHEFSA-N
XLogP1.01
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-3-oxo-1H-inden-2-imine oxide?
The IUPAC name of N-methyl-3-oxo-1H-inden-2-imine oxide (CID 660555) is N-methyl-3-oxo-1H-inden-2-imine oxide.
What is the SMILES notation for N-methyl-3-oxo-1H-inden-2-imine oxide?
The canonical SMILES for N-methyl-3-oxo-1H-inden-2-imine oxide is C/[N+]([O-])=C1\Cc2ccccc2C1=O.
What is the InChIKey of N-methyl-3-oxo-1H-inden-2-imine oxide?
The InChIKey is RNLIIFJCSRVMAO-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H9NO2/c1-11(13)9-6-7-4-2-3-5-8(7)10(9)12/h2-5H,6H2,1H3/b11-9-.
What are the key properties of N-methyl-3-oxo-1H-inden-2-imine oxide?
N-methyl-3-oxo-1H-inden-2-imine oxide has a molecular weight of 175.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-1H-inden-2-imine oxide is sourced from PubChem (CID 660555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).