(NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine

C6H11NO2 — CID 163402249

IUPAC(NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine
SMILESC[C@H]1C/C(=N/O)CCO1
InChIInChI=1S/C6H11NO2/c1-5-4-6(7-8)2-3-9-5/h5,8H,2-4H2,1H3/b7-6+/t5-/m0/s1
InChIKeyKYGZOTCWQAPMQT-UNPHKUQDSA-N
MW129.16 g/mol
LogP1.02
Rot. Bonds

About (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine

(NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine (PubChem CID 163402249) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine
PubChem CID163402249
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine
SMILESC[C@H]1C/C(=N/O)CCO1
InChIInChI=1S/C6H11NO2/c1-5-4-6(7-8)2-3-9-5/h5,8H,2-4H2,1H3/b7-6+/t5-/m0/s1
InChIKeyKYGZOTCWQAPMQT-UNPHKUQDSA-N
XLogP1.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.02
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 (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine (CID 163402249) is (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine is C[C@H]1C/C(=N/O)CCO1.
What is the InChIKey of (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine?
The InChIKey is KYGZOTCWQAPMQT-UNPHKUQDSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-4-6(7-8)2-3-9-5/h5,8H,2-4H2,1H3/b7-6+/t5-/m0/s1.
What are the key properties of (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine?
(NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine has a molecular weight of 129.16 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine is sourced from PubChem (CID 163402249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).