(NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine

C12H16N2O2 — CID 135602130

IUPAC(NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine
SMILESCc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O
InChIInChI=1S/C12H16N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h5-6,15-16H,1-4H3/b13-5+,14-6+
InChIKeySFEKTPODPIECNA-ACFHMISVSA-N
MW220.27 g/mol
LogP2.54
Rot. Bonds2

About (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine

(NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine (PubChem CID 135602130) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine
PubChem CID135602130
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine
SMILESCc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O
InChIInChI=1S/C12H16N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h5-6,15-16H,1-4H3/b13-5+,14-6+
InChIKeySFEKTPODPIECNA-ACFHMISVSA-N
XLogP2.54
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
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-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine (CID 135602130) is (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine is Cc1c(C)c(/C=N/O)c(C)c(C)c1/C=N/O.
What is the InChIKey of (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine?
The InChIKey is SFEKTPODPIECNA-ACFHMISVSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-8(2)12(6-14-16)10(4)9(3)11(7)5-13-15/h5-6,15-16H,1-4H3/b13-5+,14-6+.
What are the key properties of (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine?
(NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine has a molecular weight of 220.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 135602130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).