(NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine

C15H17FN2O — CID 138580161

IUPAC(NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine
SMILESC=C/C(=C\C=C/C)CCc1ccc(F)c(/C=N/O)n1
InChIInChI=1S/C15H17FN2O/c1-3-5-6-12(4-2)7-8-13-9-10-14(16)15(18-13)11-17-19/h3-6,9-11,19H,2,7-8H2,1H3/b5-3-,12-6+,17-11+
InChIKeyTVTWUBWILOGUJE-MDVMJZJLSA-N
MW260.31 g/mol
LogP3.65
Rot. Bonds6

About (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 138580161) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine
PubChem CID138580161
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine
SMILESC=C/C(=C\C=C/C)CCc1ccc(F)c(/C=N/O)n1
InChIInChI=1S/C15H17FN2O/c1-3-5-6-12(4-2)7-8-13-9-10-14(16)15(18-13)11-17-19/h3-6,9-11,19H,2,7-8H2,1H3/b5-3-,12-6+,17-11+
InChIKeyTVTWUBWILOGUJE-MDVMJZJLSA-N
XLogP3.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.65
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine (CID 138580161) is (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine is C=C/C(=C\C=C/C)CCc1ccc(F)c(/C=N/O)n1.
What is the InChIKey of (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is TVTWUBWILOGUJE-MDVMJZJLSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-3-5-6-12(4-2)7-8-13-9-10-14(16)15(18-13)11-17-19/h3-6,9-11,19H,2,7-8H2,1H3/b5-3-,12-6+,17-11+.
What are the key properties of (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 260.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[6-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-3-fluoro-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 138580161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).