2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol

C8H13NO — CID 44827666

IUPAC2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol
SMILESOCCN1CC2C=CC1C2
InChIInChI=1S/C8H13NO/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-8,10H,3-6H2
InChIKeyDDVSPRKOBLRZAK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.24
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol

2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol (PubChem CID 44827666) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol
PubChem CID44827666
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol
SMILESOCCN1CC2C=CC1C2
InChIInChI=1S/C8H13NO/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-8,10H,3-6H2
InChIKeyDDVSPRKOBLRZAK-UHFFFAOYSA-N
XLogP0.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol?
The IUPAC name of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol (CID 44827666) is 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol is OCCN1CC2C=CC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol?
The InChIKey is DDVSPRKOBLRZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-8,10H,3-6H2.
What are the key properties of 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol?
2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol has a molecular weight of 139.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]hept-5-en-2-yl)ethanol is sourced from PubChem (CID 44827666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).