2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol

C8H13NO — CID 98158841

IUPAC2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol
SMILESOCCN1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C8H13NO/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-8,10H,3-6H2/t7-,8-/m0/s1
InChIKeyDDVSPRKOBLRZAK-YUMQZZPRSA-N
MW139.20 g/mol
LogP0.24
Rot. Bonds2

About 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol

2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol (PubChem CID 98158841) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol.

Molecular Properties

Compound Name2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol
PubChem CID98158841
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol
SMILESOCCN1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C8H13NO/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-8,10H,3-6H2/t7-,8-/m0/s1
InChIKeyDDVSPRKOBLRZAK-YUMQZZPRSA-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-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol?
The IUPAC name of 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol (CID 98158841) is 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol.
What is the SMILES notation for 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol?
The canonical SMILES for 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol is OCCN1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol?
The InChIKey is DDVSPRKOBLRZAK-YUMQZZPRSA-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/t7-,8-/m0/s1.
What are the key properties of 2-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol?
2-[(1R,4R)-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-[(1R,4R)-2-azabicyclo[2.2.1]hept-5-en-2-yl]ethanol is sourced from PubChem (CID 98158841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).