2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol

C7H13NO3 — CID 14044127

IUPAC2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol
SMILESOCCC1(CO)OCC2CN21
InChIInChI=1S/C7H13NO3/c9-2-1-7(5-10)8-3-6(8)4-11-7/h6,9-10H,1-5H2
InChIKeyHNKCUXNMVBOVTI-UHFFFAOYSA-N
MW159.18 g/mol
LogP-1.23
Rot. Bonds3

About 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol

2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol (PubChem CID 14044127) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol
PubChem CID14044127
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol
SMILESOCCC1(CO)OCC2CN21
InChIInChI=1S/C7H13NO3/c9-2-1-7(5-10)8-3-6(8)4-11-7/h6,9-10H,1-5H2
InChIKeyHNKCUXNMVBOVTI-UHFFFAOYSA-N
XLogP-1.23
TPSA52.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol?
The IUPAC name of 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol (CID 14044127) is 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol is OCCC1(CO)OCC2CN21.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol?
The InChIKey is HNKCUXNMVBOVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-2-1-7(5-10)8-3-6(8)4-11-7/h6,9-10H,1-5H2.
What are the key properties of 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol?
2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol has a molecular weight of 159.18 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3-oxa-1-azabicyclo[3.1.0]hexan-2-yl]ethanol is sourced from PubChem (CID 14044127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).