(5-iminooxolan-2-yl)methanol

C5H9NO2 — CID 67564795

IUPAC(5-iminooxolan-2-yl)methanol
SMILES[H]/N=C1\CCC(CO)O1
InChIInChI=1S/C5H9NO2/c6-5-2-1-4(3-7)8-5/h4,6-7H,1-3H2/b6-5+
InChIKeyAQFAJTGRUAVZNO-AATRIKPKSA-N
MW115.13 g/mol
LogP0.13
Rot. Bonds1

About (5-iminooxolan-2-yl)methanol

(5-iminooxolan-2-yl)methanol (PubChem CID 67564795) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (5-iminooxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-iminooxolan-2-yl)methanol
PubChem CID67564795
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(5-iminooxolan-2-yl)methanol
SMILES[H]/N=C1\CCC(CO)O1
InChIInChI=1S/C5H9NO2/c6-5-2-1-4(3-7)8-5/h4,6-7H,1-3H2/b6-5+
InChIKeyAQFAJTGRUAVZNO-AATRIKPKSA-N
XLogP0.13
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.13
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 (5-iminooxolan-2-yl)methanol?
The IUPAC name of (5-iminooxolan-2-yl)methanol (CID 67564795) is (5-iminooxolan-2-yl)methanol.
What is the SMILES notation for (5-iminooxolan-2-yl)methanol?
The canonical SMILES for (5-iminooxolan-2-yl)methanol is [H]/N=C1\CCC(CO)O1.
What is the InChIKey of (5-iminooxolan-2-yl)methanol?
The InChIKey is AQFAJTGRUAVZNO-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NO2/c6-5-2-1-4(3-7)8-5/h4,6-7H,1-3H2/b6-5+.
What are the key properties of (5-iminooxolan-2-yl)methanol?
(5-iminooxolan-2-yl)methanol has a molecular weight of 115.13 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iminooxolan-2-yl)methanol is sourced from PubChem (CID 67564795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).