(NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine

C7H12FNO — CID 129227751

IUPAC(NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine
SMILESC/C=C/[C@@H](F)C/C(C)=N\O
InChIInChI=1S/C7H12FNO/c1-3-4-7(8)5-6(2)9-10/h3-4,7,10H,5H2,1-2H3/b4-3+,9-6-/t7-/m1/s1
InChIKeyDBOYYIWPIDXZGU-PPYPUIAUSA-N
MW145.18 g/mol
LogP2.14
Rot. Bonds3

About (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine

(NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine (PubChem CID 129227751) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine
PubChem CID129227751
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name(NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine
SMILESC/C=C/[C@@H](F)C/C(C)=N\O
InChIInChI=1S/C7H12FNO/c1-3-4-7(8)5-6(2)9-10/h3-4,7,10H,5H2,1-2H3/b4-3+,9-6-/t7-/m1/s1
InChIKeyDBOYYIWPIDXZGU-PPYPUIAUSA-N
XLogP2.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine (CID 129227751) is (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine is C/C=C/[C@@H](F)C/C(C)=N\O.
What is the InChIKey of (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine?
The InChIKey is DBOYYIWPIDXZGU-PPYPUIAUSA-N. The full InChI is InChI=1S/C7H12FNO/c1-3-4-7(8)5-6(2)9-10/h3-4,7,10H,5H2,1-2H3/b4-3+,9-6-/t7-/m1/s1.
What are the key properties of (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine?
(NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine has a molecular weight of 145.18 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E,4S)-4-fluorohept-5-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 129227751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).