N-methylfluoren-9-imine oxide

C14H11NO — CID 596893

IUPACN-methylfluoren-9-imine oxide
SMILESC[N+]([O-])=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H11NO/c1-15(16)14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3
InChIKeyRLDWBIJDPDPIOO-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.64
Rot. Bonds

About N-methylfluoren-9-imine oxide

N-methylfluoren-9-imine oxide (PubChem CID 596893) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is N-methylfluoren-9-imine oxide.

Molecular Properties

Compound NameN-methylfluoren-9-imine oxide
PubChem CID596893
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC NameN-methylfluoren-9-imine oxide
SMILESC[N+]([O-])=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H11NO/c1-15(16)14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3
InChIKeyRLDWBIJDPDPIOO-UHFFFAOYSA-N
XLogP2.64
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylfluoren-9-imine oxide?
The IUPAC name of N-methylfluoren-9-imine oxide (CID 596893) is N-methylfluoren-9-imine oxide.
What is the SMILES notation for N-methylfluoren-9-imine oxide?
The canonical SMILES for N-methylfluoren-9-imine oxide is C[N+]([O-])=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-methylfluoren-9-imine oxide?
The InChIKey is RLDWBIJDPDPIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-15(16)14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3.
What are the key properties of N-methylfluoren-9-imine oxide?
N-methylfluoren-9-imine oxide has a molecular weight of 209.25 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylfluoren-9-imine oxide is sourced from PubChem (CID 596893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).