3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol

C15H19NO — CID 134158533

IUPAC3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC1CC2CC1C(O)C2Nc1ccccc1
InChIInChI=1S/C15H19NO/c1-2-10-8-11-9-13(10)15(17)14(11)16-12-6-4-3-5-7-12/h2-7,10-11,13-17H,1,8-9H2
InChIKeyPFEJKUMXYIIQEQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.67
Rot. Bonds3

About 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol

3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol (PubChem CID 134158533) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol
PubChem CID134158533
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC1CC2CC1C(O)C2Nc1ccccc1
InChIInChI=1S/C15H19NO/c1-2-10-8-11-9-13(10)15(17)14(11)16-12-6-4-3-5-7-12/h2-7,10-11,13-17H,1,8-9H2
InChIKeyPFEJKUMXYIIQEQ-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.67
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 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol (CID 134158533) is 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol is C=CC1CC2CC1C(O)C2Nc1ccccc1.
What is the InChIKey of 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is PFEJKUMXYIIQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-10-8-11-9-13(10)15(17)14(11)16-12-6-4-3-5-7-12/h2-7,10-11,13-17H,1,8-9H2.
What are the key properties of 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol?
3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 229.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6-ethenylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134158533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).