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

C7H13NO — CID 171035054

IUPAC1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol
SMILESCC(O)C1NCC2CC21
InChIInChI=1S/C7H13NO/c1-4(9)7-6-2-5(6)3-8-7/h4-9H,2-3H2,1H3
InChIKeyKZPPMIYEJIVIDG-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.02
Rot. Bonds1

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

1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol (PubChem CID 171035054) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol
PubChem CID171035054
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol
SMILESCC(O)C1NCC2CC21
InChIInChI=1S/C7H13NO/c1-4(9)7-6-2-5(6)3-8-7/h4-9H,2-3H2,1H3
InChIKeyKZPPMIYEJIVIDG-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol (CID 171035054) is 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol is CC(O)C1NCC2CC21.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol?
The InChIKey is KZPPMIYEJIVIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4(9)7-6-2-5(6)3-8-7/h4-9H,2-3H2,1H3.
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol?
1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol has a molecular weight of 127.19 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-2-yl)ethanol is sourced from PubChem (CID 171035054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).