(NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine

C11H11NO — CID 173289314

IUPAC(NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine
SMILESC#CCc1cccc(C)c1/C=N\O
InChIInChI=1S/C11H11NO/c1-3-5-10-7-4-6-9(2)11(10)8-12-13/h1,4,6-8,13H,5H2,2H3/b12-8-
InChIKeyUEAUYHYKAQFJEW-WQLSENKSSA-N
MW173.21 g/mol
LogP1.98
Rot. Bonds2

About (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine

(NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine (PubChem CID 173289314) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine
PubChem CID173289314
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine
SMILESC#CCc1cccc(C)c1/C=N\O
InChIInChI=1S/C11H11NO/c1-3-5-10-7-4-6-9(2)11(10)8-12-13/h1,4,6-8,13H,5H2,2H3/b12-8-
InChIKeyUEAUYHYKAQFJEW-WQLSENKSSA-N
XLogP1.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.98
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine (CID 173289314) is (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine is C#CCc1cccc(C)c1/C=N\O.
What is the InChIKey of (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine?
The InChIKey is UEAUYHYKAQFJEW-WQLSENKSSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-5-10-7-4-6-9(2)11(10)8-12-13/h1,4,6-8,13H,5H2,2H3/b12-8-.
What are the key properties of (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine?
(NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine has a molecular weight of 173.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2-methyl-6-prop-2-ynylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 173289314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).