N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine

C11H13FN2O — CID 173127291

IUPACN-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
SMILESCCC(=NO)/C(C)=C/c1ccc(F)nc1
InChIInChI=1S/C11H13FN2O/c1-3-10(14-15)8(2)6-9-4-5-11(12)13-7-9/h4-7,15H,3H2,1-2H3/b8-6+,14-10?
InChIKeyKZYMSANMAJGLBF-WETLUHMISA-N
MW208.24 g/mol
LogP2.86
Rot. Bonds3

About N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine

N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine (PubChem CID 173127291) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
PubChem CID173127291
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
SMILESCCC(=NO)/C(C)=C/c1ccc(F)nc1
InChIInChI=1S/C11H13FN2O/c1-3-10(14-15)8(2)6-9-4-5-11(12)13-7-9/h4-7,15H,3H2,1-2H3/b8-6+,14-10?
InChIKeyKZYMSANMAJGLBF-WETLUHMISA-N
XLogP2.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nicotine
CID 89594
3-Methylpyridine
CID 7970
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pralidoxime Chloride
CID 135445761
4-Vinylpyridine
CID 7502
Myosmine
CID 442649
3-Cyanopyridine
CID 79
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
Rivanicline
CID 5310967
Pralidoxime
CID 135398747

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine?
The IUPAC name of N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine (CID 173127291) is N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine?
The canonical SMILES for N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine is CCC(=NO)/C(C)=C/c1ccc(F)nc1.
What is the InChIKey of N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine?
The InChIKey is KZYMSANMAJGLBF-WETLUHMISA-N. The full InChI is InChI=1S/C11H13FN2O/c1-3-10(14-15)8(2)6-9-4-5-11(12)13-7-9/h4-7,15H,3H2,1-2H3/b8-6+,14-10?.
What are the key properties of N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine?
N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine has a molecular weight of 208.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-fluoro-3-pyridinyl)-2-methylpent-1-en-3-ylidene]hydroxylamine is sourced from PubChem (CID 173127291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).