(NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine

C17H14FNO2 — CID 19065573

IUPAC(NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1/C=C(c2cccc(Oc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C17H14FNO2/c18-14-5-8-16(9-6-14)21-17-3-1-2-12(11-17)13-4-7-15(10-13)19-20/h1-3,5-6,8-11,20H,4,7H2/b19-15+
InChIKeyXWFQYZGQMHQDCT-XDJHFCHBSA-N
MW283.30 g/mol
LogP4.63
Rot. Bonds3

About (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine

(NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine (PubChem CID 19065573) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine
PubChem CID19065573
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine
SMILESO/N=C1/C=C(c2cccc(Oc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C17H14FNO2/c18-14-5-8-16(9-6-14)21-17-3-1-2-12(11-17)13-4-7-15(10-13)19-20/h1-3,5-6,8-11,20H,4,7H2/b19-15+
InChIKeyXWFQYZGQMHQDCT-XDJHFCHBSA-N
XLogP4.63
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine (CID 19065573) is (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine is O/N=C1/C=C(c2cccc(Oc3ccc(F)cc3)c2)CC1.
What is the InChIKey of (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine?
The InChIKey is XWFQYZGQMHQDCT-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-14-5-8-16(9-6-14)21-17-3-1-2-12(11-17)13-4-7-15(10-13)19-20/h1-3,5-6,8-11,20H,4,7H2/b19-15+.
What are the key properties of (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine?
(NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine has a molecular weight of 283.30 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-[3-(4-fluorophenoxy)phenyl]cyclopent-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 19065573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).