2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol

C7H11NO — CID 45092477

IUPAC2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol
SMILESOCC1NC2C=CC1C2
InChIInChI=1S/C7H11NO/c9-4-7-5-1-2-6(3-5)8-7/h1-2,5-9H,3-4H2
InChIKeyQSBGEVOWMREJOW-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.10
Rot. Bonds1

About 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol

2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol (PubChem CID 45092477) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol
PubChem CID45092477
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol
SMILESOCC1NC2C=CC1C2
InChIInChI=1S/C7H11NO/c9-4-7-5-1-2-6(3-5)8-7/h1-2,5-9H,3-4H2
InChIKeyQSBGEVOWMREJOW-UHFFFAOYSA-N
XLogP-0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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-azabicyclo[2.2.1]hept-5-en-3-ylmethanol?
The IUPAC name of 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol (CID 45092477) is 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol.
What is the SMILES notation for 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol?
The canonical SMILES for 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol is OCC1NC2C=CC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol?
The InChIKey is QSBGEVOWMREJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-4-7-5-1-2-6(3-5)8-7/h1-2,5-9H,3-4H2.
What are the key properties of 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol?
2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol has a molecular weight of 125.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]hept-5-en-3-ylmethanol is sourced from PubChem (CID 45092477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).