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

C7H11NO — CID 54482945

IUPAC7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol
SMILESOCC1CC2C=CC1N2
InChIInChI=1S/C7H11NO/c9-4-5-3-6-1-2-7(5)8-6/h1-2,5-9H,3-4H2
InChIKeyXQHLOTVGQHFESL-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.10
Rot. Bonds1

About 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol

7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol (PubChem CID 54482945) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol
PubChem CID54482945
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol
SMILESOCC1CC2C=CC1N2
InChIInChI=1S/C7H11NO/c9-4-5-3-6-1-2-7(5)8-6/h1-2,5-9H,3-4H2
InChIKeyXQHLOTVGQHFESL-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 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The IUPAC name of 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol (CID 54482945) is 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol.
What is the SMILES notation for 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The canonical SMILES for 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol is OCC1CC2C=CC1N2.
What is the InChIKey of 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol?
The InChIKey is XQHLOTVGQHFESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-4-5-3-6-1-2-7(5)8-6/h1-2,5-9H,3-4H2.
What are the key properties of 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol?
7-azabicyclo[2.2.1]hept-5-en-2-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 7-azabicyclo[2.2.1]hept-5-en-2-ylmethanol is sourced from PubChem (CID 54482945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).