(NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine

C14H14FNO — CID 142575111

IUPAC(NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
SMILESO/N=C/C1=C(/C=C/c2ccc(F)cc2)CCC1
InChIInChI=1S/C14H14FNO/c15-14-8-5-11(6-9-14)4-7-12-2-1-3-13(12)10-16-17/h4-10,17H,1-3H2/b7-4+,16-10+
InChIKeyRBQGYYOPSOFJDR-LVVPDBGKSA-N
MW231.27 g/mol
LogP3.78
Rot. Bonds3

About (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine

(NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine (PubChem CID 142575111) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
PubChem CID142575111
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name(NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
SMILESO/N=C/C1=C(/C=C/c2ccc(F)cc2)CCC1
InChIInChI=1S/C14H14FNO/c15-14-8-5-11(6-9-14)4-7-12-2-1-3-13(12)10-16-17/h4-10,17H,1-3H2/b7-4+,16-10+
InChIKeyRBQGYYOPSOFJDR-LVVPDBGKSA-N
XLogP3.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.78
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-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine (CID 142575111) is (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine is O/N=C/C1=C(/C=C/c2ccc(F)cc2)CCC1.
What is the InChIKey of (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
The InChIKey is RBQGYYOPSOFJDR-LVVPDBGKSA-N. The full InChI is InChI=1S/C14H14FNO/c15-14-8-5-11(6-9-14)4-7-12-2-1-3-13(12)10-16-17/h4-10,17H,1-3H2/b7-4+,16-10+.
What are the key properties of (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine?
(NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine has a molecular weight of 231.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 142575111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).