(NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine

C14H16FNO — CID 11593845

IUPAC(NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESCCCC1=C(c2ccc(F)cc2)/C(=N/O)CC1
InChIInChI=1S/C14H16FNO/c1-2-3-10-6-9-13(16-17)14(10)11-4-7-12(15)8-5-11/h4-5,7-8,17H,2-3,6,9H2,1H3/b16-13+
InChIKeyCBSUZJRZOQRYJU-DTQAZKPQSA-N
MW233.29 g/mol
LogP4.00
Rot. Bonds3

About (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine

(NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 11593845) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID11593845
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine
SMILESCCCC1=C(c2ccc(F)cc2)/C(=N/O)CC1
InChIInChI=1S/C14H16FNO/c1-2-3-10-6-9-13(16-17)14(10)11-4-7-12(15)8-5-11/h4-5,7-8,17H,2-3,6,9H2,1H3/b16-13+
InChIKeyCBSUZJRZOQRYJU-DTQAZKPQSA-N
XLogP4.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 54.00
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 (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine (CID 11593845) is (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine is CCCC1=C(c2ccc(F)cc2)/C(=N/O)CC1.
What is the InChIKey of (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is CBSUZJRZOQRYJU-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H16FNO/c1-2-3-10-6-9-13(16-17)14(10)11-4-7-12(15)8-5-11/h4-5,7-8,17H,2-3,6,9H2,1H3/b16-13+.
What are the key properties of (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 233.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(4-fluorophenyl)-3-propylcyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 11593845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).