(3-imino-5-methyloxolan-2-yl)methanol

C6H11NO2 — CID 176556093

IUPAC(3-imino-5-methyloxolan-2-yl)methanol
SMILES[H]/N=C1\CC(C)OC1CO
InChIInChI=1S/C6H11NO2/c1-4-2-5(7)6(3-8)9-4/h4,6-8H,2-3H2,1H3/b7-5+
InChIKeyGCKSZLZTZFIJBT-FNORWQNLSA-N
MW129.16 g/mol
LogP0.18
Rot. Bonds1

About (3-imino-5-methyloxolan-2-yl)methanol

(3-imino-5-methyloxolan-2-yl)methanol (PubChem CID 176556093) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3-imino-5-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(3-imino-5-methyloxolan-2-yl)methanol
PubChem CID176556093
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3-imino-5-methyloxolan-2-yl)methanol
SMILES[H]/N=C1\CC(C)OC1CO
InChIInChI=1S/C6H11NO2/c1-4-2-5(7)6(3-8)9-4/h4,6-8H,2-3H2,1H3/b7-5+
InChIKeyGCKSZLZTZFIJBT-FNORWQNLSA-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 (3-imino-5-methyloxolan-2-yl)methanol?
The IUPAC name of (3-imino-5-methyloxolan-2-yl)methanol (CID 176556093) is (3-imino-5-methyloxolan-2-yl)methanol.
What is the SMILES notation for (3-imino-5-methyloxolan-2-yl)methanol?
The canonical SMILES for (3-imino-5-methyloxolan-2-yl)methanol is [H]/N=C1\CC(C)OC1CO.
What is the InChIKey of (3-imino-5-methyloxolan-2-yl)methanol?
The InChIKey is GCKSZLZTZFIJBT-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-5(7)6(3-8)9-4/h4,6-8H,2-3H2,1H3/b7-5+.
What are the key properties of (3-imino-5-methyloxolan-2-yl)methanol?
(3-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 (3-imino-5-methyloxolan-2-yl)methanol is sourced from PubChem (CID 176556093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).