(NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine

C15H14N2O2 — CID 142575102

IUPAC(NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine
SMILESCOc1ccc(/C=C/c2ncccc2/C=N/O)cc1
InChIInChI=1S/C15H14N2O2/c1-19-14-7-4-12(5-8-14)6-9-15-13(11-17-18)3-2-10-16-15/h2-11,18H,1H3/b9-6+,17-11+
InChIKeyHRZZIHNVLJXZQP-OEMBIGBOSA-N
MW254.29 g/mol
LogP3.07
Rot. Bonds4

About (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 142575102) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine
PubChem CID142575102
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine
SMILESCOc1ccc(/C=C/c2ncccc2/C=N/O)cc1
InChIInChI=1S/C15H14N2O2/c1-19-14-7-4-12(5-8-14)6-9-15-13(11-17-18)3-2-10-16-15/h2-11,18H,1H3/b9-6+,17-11+
InChIKeyHRZZIHNVLJXZQP-OEMBIGBOSA-N
XLogP3.07
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine (CID 142575102) is (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine is COc1ccc(/C=C/c2ncccc2/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is HRZZIHNVLJXZQP-OEMBIGBOSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-14-7-4-12(5-8-14)6-9-15-13(11-17-18)3-2-10-16-15/h2-11,18H,1H3/b9-6+,17-11+.
What are the key properties of (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 254.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 142575102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).