(4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one

C17H19FN2O2 — CID 170208882

IUPAC(4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one
SMILESC=CN(C)C1=C(F)/C(=N/OCCCC)c2ccccc2C1=O
InChIInChI=1S/C17H19FN2O2/c1-4-6-11-22-19-15-12-9-7-8-10-13(12)17(21)16(14(15)18)20(3)5-2/h5,7-10H,2,4,6,11H2,1,3H3/b19-15+
InChIKeyQQVMOTYPMYLDSG-XDJHFCHBSA-N
MW302.35 g/mol
LogP3.66
Rot. Bonds6

About (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one

(4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one (PubChem CID 170208882) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one.

Molecular Properties

Compound Name(4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one
PubChem CID170208882
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one
SMILESC=CN(C)C1=C(F)/C(=N/OCCCC)c2ccccc2C1=O
InChIInChI=1S/C17H19FN2O2/c1-4-6-11-22-19-15-12-9-7-8-10-13(12)17(21)16(14(15)18)20(3)5-2/h5,7-10H,2,4,6,11H2,1,3H3/b19-15+
InChIKeyQQVMOTYPMYLDSG-XDJHFCHBSA-N
XLogP3.66
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one?
The IUPAC name of (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one (CID 170208882) is (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one.
What is the SMILES notation for (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one?
The canonical SMILES for (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one is C=CN(C)C1=C(F)/C(=N/OCCCC)c2ccccc2C1=O.
What is the InChIKey of (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one?
The InChIKey is QQVMOTYPMYLDSG-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-4-6-11-22-19-15-12-9-7-8-10-13(12)17(21)16(14(15)18)20(3)5-2/h5,7-10H,2,4,6,11H2,1,3H3/b19-15+.
What are the key properties of (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one?
(4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one has a molecular weight of 302.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-butoxyimino-2-[ethenyl(methyl)amino]-3-fluoronaphthalen-1-one is sourced from PubChem (CID 170208882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).