N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide

C17H15NO — CID 134845977

IUPACN-[(E)-but-2-en-2-yl]fluoren-9-imine oxide
SMILESC/C=C(\C)[N+]([O-])=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15NO/c1-3-12(2)18(19)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-11H,1-2H3/b12-3+
InChIKeyMVQFLLBBDVZFDH-KGVSQERTSA-N
MW249.31 g/mol
LogP3.94
Rot. Bonds1

About N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide

N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide (PubChem CID 134845977) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]fluoren-9-imine oxide
PubChem CID134845977
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC NameN-[(E)-but-2-en-2-yl]fluoren-9-imine oxide
SMILESC/C=C(\C)[N+]([O-])=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15NO/c1-3-12(2)18(19)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-11H,1-2H3/b12-3+
InChIKeyMVQFLLBBDVZFDH-KGVSQERTSA-N
XLogP3.94
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.94
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-[(E)-but-2-en-2-yl]fluoren-9-imine oxide?
The IUPAC name of N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide (CID 134845977) is N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide?
The canonical SMILES for N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide is C/C=C(\C)[N+]([O-])=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide?
The InChIKey is MVQFLLBBDVZFDH-KGVSQERTSA-N. The full InChI is InChI=1S/C17H15NO/c1-3-12(2)18(19)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-11H,1-2H3/b12-3+.
What are the key properties of N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide?
N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide has a molecular weight of 249.31 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]fluoren-9-imine oxide is sourced from PubChem (CID 134845977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).