N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine

C7H13NO2 — CID 169156330

IUPACN-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine
SMILESC[C@@H]1C/C(=N\O)C[C@H](C)O1
InChIInChI=1S/C7H13NO2/c1-5-3-7(8-9)4-6(2)10-5/h5-6,9H,3-4H2,1-2H3/b8-7-/t5-,6+/m0/s1
InChIKeyFHNSYVGRUCWKCU-YALLPQADSA-N
MW143.19 g/mol
LogP1.40
Rot. Bonds

About N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine

N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine (PubChem CID 169156330) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine
PubChem CID169156330
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine
SMILESC[C@@H]1C/C(=N\O)C[C@H](C)O1
InChIInChI=1S/C7H13NO2/c1-5-3-7(8-9)4-6(2)10-5/h5-6,9H,3-4H2,1-2H3/b8-7-/t5-,6+/m0/s1
InChIKeyFHNSYVGRUCWKCU-YALLPQADSA-N
XLogP1.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.40
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine?
The IUPAC name of N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine (CID 169156330) is N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine?
The canonical SMILES for N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine is C[C@@H]1C/C(=N\O)C[C@H](C)O1.
What is the InChIKey of N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine?
The InChIKey is FHNSYVGRUCWKCU-YALLPQADSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-3-7(8-9)4-6(2)10-5/h5-6,9H,3-4H2,1-2H3/b8-7-/t5-,6+/m0/s1.
What are the key properties of N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine?
N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine has a molecular weight of 143.19 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine is sourced from PubChem (CID 169156330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).