7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol

C7H11NO — CID 84647852

IUPAC7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol
SMILESOCC12C=CC(CC1)N2
InChIInChI=1S/C7H11NO/c9-5-7-3-1-6(8-7)2-4-7/h1,3,6,8-9H,2,4-5H2
InChIKeyVSHZJVZJWHOPDR-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.04
Rot. Bonds1

About 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol

7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol (PubChem CID 84647852) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol
PubChem CID84647852
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol
SMILESOCC12C=CC(CC1)N2
InChIInChI=1S/C7H11NO/c9-5-7-3-1-6(8-7)2-4-7/h1,3,6,8-9H,2,4-5H2
InChIKeyVSHZJVZJWHOPDR-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol?
The IUPAC name of 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol (CID 84647852) is 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol.
What is the SMILES notation for 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol?
The canonical SMILES for 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol is OCC12C=CC(CC1)N2.
What is the InChIKey of 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol?
The InChIKey is VSHZJVZJWHOPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-5-7-3-1-6(8-7)2-4-7/h1,3,6,8-9H,2,4-5H2.
What are the key properties of 7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol?
7-azabicyclo[2.2.1]hept-2-en-1-ylmethanol has a molecular weight of 125.17 g/mol, XLogP of 0.04, 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-2-en-1-ylmethanol is sourced from PubChem (CID 84647852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).