(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine

C12H16N2O2 — CID 135574535

IUPAC(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N\O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H16N2O2/c1-8(2)10-4-6-11(7-5-10)12(14-16)9(3)13-15/h4-8,15-16H,1-3H3/b13-9+,14-12+
InChIKeyJHBWEMXCSZRUOY-IHJNGOQESA-N
MW220.27 g/mol
LogP2.84
Rot. Bonds3

About (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine

(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 135574535) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine
PubChem CID135574535
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N\O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H16N2O2/c1-8(2)10-4-6-11(7-5-10)12(14-16)9(3)13-15/h4-8,15-16H,1-3H3/b13-9+,14-12+
InChIKeyJHBWEMXCSZRUOY-IHJNGOQESA-N
XLogP2.84
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine (CID 135574535) is (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine is CC(=N\O)/C(=N\O)c1ccc(C(C)C)cc1.
What is the InChIKey of (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is JHBWEMXCSZRUOY-IHJNGOQESA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)10-4-6-11(7-5-10)12(14-16)9(3)13-15/h4-8,15-16H,1-3H3/b13-9+,14-12+.
What are the key properties of (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine?
(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 220.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135574535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).