2-aminobicyclo[2.2.1]hept-5-en-2-ol

C7H11NO — CID 89311191

IUPAC2-aminobicyclo[2.2.1]hept-5-en-2-ol
SMILESNC1(O)CC2C=CC1C2
InChIInChI=1S/C7H11NO/c8-7(9)4-5-1-2-6(7)3-5/h1-2,5-6,9H,3-4,8H2
InChIKeyJDZFACPGGKDKQI-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.23
Rot. Bonds

About 2-aminobicyclo[2.2.1]hept-5-en-2-ol

2-aminobicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 89311191) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-aminobicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2-aminobicyclo[2.2.1]hept-5-en-2-ol
PubChem CID89311191
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-aminobicyclo[2.2.1]hept-5-en-2-ol
SMILESNC1(O)CC2C=CC1C2
InChIInChI=1S/C7H11NO/c8-7(9)4-5-1-2-6(7)3-5/h1-2,5-6,9H,3-4,8H2
InChIKeyJDZFACPGGKDKQI-UHFFFAOYSA-N
XLogP0.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminobicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2-aminobicyclo[2.2.1]hept-5-en-2-ol (CID 89311191) is 2-aminobicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2-aminobicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2-aminobicyclo[2.2.1]hept-5-en-2-ol is NC1(O)CC2C=CC1C2.
What is the InChIKey of 2-aminobicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is JDZFACPGGKDKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-7(9)4-5-1-2-6(7)3-5/h1-2,5-6,9H,3-4,8H2.
What are the key properties of 2-aminobicyclo[2.2.1]hept-5-en-2-ol?
2-aminobicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 125.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 89311191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).