(2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol

C8H13NO — CID 84648433

IUPAC(2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol
SMILESNC1(CO)CC2C=CC1C2
InChIInChI=1S/C8H13NO/c9-8(5-10)4-6-1-2-7(8)3-6/h1-2,6-7,10H,3-5,9H2
InChIKeyHTJHXBVEJRKYBG-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.27
Rot. Bonds1

About (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol

(2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol (PubChem CID 84648433) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol.

Molecular Properties

Compound Name(2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol
PubChem CID84648433
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol
SMILESNC1(CO)CC2C=CC1C2
InChIInChI=1S/C8H13NO/c9-8(5-10)4-6-1-2-7(8)3-6/h1-2,6-7,10H,3-5,9H2
InChIKeyHTJHXBVEJRKYBG-UHFFFAOYSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol 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 (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol?
The IUPAC name of (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol (CID 84648433) is (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol.
What is the SMILES notation for (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol?
The canonical SMILES for (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol is NC1(CO)CC2C=CC1C2.
What is the InChIKey of (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol?
The InChIKey is HTJHXBVEJRKYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(5-10)4-6-1-2-7(8)3-6/h1-2,6-7,10H,3-5,9H2.
What are the key properties of (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol?
(2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol has a molecular weight of 139.20 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-bicyclo[2.2.1]hept-5-enyl)methanol is sourced from PubChem (CID 84648433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).