N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine

C13H16FNO — CID 173132678

IUPACN-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine
SMILESC/C(=C\c1ccc(F)cc1)C(=NO)C(C)C
InChIInChI=1S/C13H16FNO/c1-9(2)13(15-16)10(3)8-11-4-6-12(14)7-5-11/h4-9,16H,1-3H3/b10-8+,15-13?
InChIKeyKHBHURZBJBAUPN-MDZUQBIMSA-N
MW221.28 g/mol
LogP3.72
Rot. Bonds3

About N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine

N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine (PubChem CID 173132678) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine
PubChem CID173132678
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine
SMILESC/C(=C\c1ccc(F)cc1)C(=NO)C(C)C
InChIInChI=1S/C13H16FNO/c1-9(2)13(15-16)10(3)8-11-4-6-12(14)7-5-11/h4-9,16H,1-3H3/b10-8+,15-13?
InChIKeyKHBHURZBJBAUPN-MDZUQBIMSA-N
XLogP3.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine (CID 173132678) is N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine is C/C(=C\c1ccc(F)cc1)C(=NO)C(C)C.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine?
The InChIKey is KHBHURZBJBAUPN-MDZUQBIMSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(2)13(15-16)10(3)8-11-4-6-12(14)7-5-11/h4-9,16H,1-3H3/b10-8+,15-13?.
What are the key properties of N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine?
N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine has a molecular weight of 221.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)-2,4-dimethylpent-1-en-3-ylidene]hydroxylamine is sourced from PubChem (CID 173132678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).