(NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine

C7H13NO3 — CID 89161075

IUPAC(NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine
SMILESCO[C@H]1CCO[C@@H](C)/C1=N\O
InChIInChI=1S/C7H13NO3/c1-5-7(8-9)6(10-2)3-4-11-5/h5-6,9H,3-4H2,1-2H3/b8-7+/t5-,6-/m0/s1
InChIKeyPRVFLKCULFPZBJ-PNWKWMBTSA-N
MW159.18 g/mol
LogP0.64
Rot. Bonds1

About (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine

(NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine (PubChem CID 89161075) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine
PubChem CID89161075
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine
SMILESCO[C@H]1CCO[C@@H](C)/C1=N\O
InChIInChI=1S/C7H13NO3/c1-5-7(8-9)6(10-2)3-4-11-5/h5-6,9H,3-4H2,1-2H3/b8-7+/t5-,6-/m0/s1
InChIKeyPRVFLKCULFPZBJ-PNWKWMBTSA-N
XLogP0.64
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
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-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine (CID 89161075) is (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine is CO[C@H]1CCO[C@@H](C)/C1=N\O.
What is the InChIKey of (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine?
The InChIKey is PRVFLKCULFPZBJ-PNWKWMBTSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-7(8-9)6(10-2)3-4-11-5/h5-6,9H,3-4H2,1-2H3/b8-7+/t5-,6-/m0/s1.
What are the key properties of (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine?
(NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine has a molecular weight of 159.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S,4S)-4-methoxy-2-methyloxan-3-ylidene]hydroxylamine is sourced from PubChem (CID 89161075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).