(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine

C11H12FNO — CID 131865269

IUPAC(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine
SMILESC=CCC/C(=N\O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-2-3-4-11(13-14)9-5-7-10(12)8-6-9/h2,5-8,14H,1,3-4H2/b13-11+
InChIKeyQRDLIGOUIPUXTE-ACCUITESSA-N
MW193.22 g/mol
LogP2.97
Rot. Bonds4

About (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine

(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine (PubChem CID 131865269) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine
PubChem CID131865269
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine
SMILESC=CCC/C(=N\O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-2-3-4-11(13-14)9-5-7-10(12)8-6-9/h2,5-8,14H,1,3-4H2/b13-11+
InChIKeyQRDLIGOUIPUXTE-ACCUITESSA-N
XLogP2.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

ethyl (4E)-4-(4-fluorophenyl)-4-hydroxyiminobutanoate
CID 87950444
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
CID 46944422
(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine
CID 177390235
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)propylidene]hydroxylamine
CID 3632836
(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine
CID 71595074
1-[(1Z)-1,2-dibromopenta-1,4-dienyl]-4-fluorobenzene
CID 125477421
4-[C-[(4-fluoroanilino)methyl]-N-hydroxycarbonimidoyl]-N'-hydroxybenzenecarboximidamide
CID 177338651
4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine (CID 131865269) is (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine is C=CCC/C(=N\O)c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine?
The InChIKey is QRDLIGOUIPUXTE-ACCUITESSA-N. The full InChI is InChI=1S/C11H12FNO/c1-2-3-4-11(13-14)9-5-7-10(12)8-6-9/h2,5-8,14H,1,3-4H2/b13-11+.
What are the key properties of (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine?
(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine has a molecular weight of 193.22 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine is sourced from PubChem (CID 131865269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).