[(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol

C6H11NO2 — CID 166711900

IUPAC[(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol
SMILES[H]/N=C1\C[C@@H](CO)O[C@H]1C
InChIInChI=1S/C6H11NO2/c1-4-6(7)2-5(3-8)9-4/h4-5,7-8H,2-3H2,1H3/b7-6+/t4-,5-/m0/s1
InChIKeySTNLVITWPBTWHI-RMUQXALFSA-N
MW129.16 g/mol
LogP0.18
Rot. Bonds1

About [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol

[(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol (PubChem CID 166711900) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol
PubChem CID166711900
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name[(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol
SMILES[H]/N=C1\C[C@@H](CO)O[C@H]1C
InChIInChI=1S/C6H11NO2/c1-4-6(7)2-5(3-8)9-4/h4-5,7-8H,2-3H2,1H3/b7-6+/t4-,5-/m0/s1
InChIKeySTNLVITWPBTWHI-RMUQXALFSA-N
XLogP0.18
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol (CID 166711900) is [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol is [H]/N=C1\C[C@@H](CO)O[C@H]1C.
What is the InChIKey of [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol?
The InChIKey is STNLVITWPBTWHI-RMUQXALFSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-6(7)2-5(3-8)9-4/h4-5,7-8H,2-3H2,1H3/b7-6+/t4-,5-/m0/s1.
What are the key properties of [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol?
[(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol has a molecular weight of 129.16 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-4-imino-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 166711900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).