2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol

C9H15NO — CID 43222667

IUPAC2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol
SMILESOCCNC1CC2CC=CC21
InChIInChI=1S/C9H15NO/c11-5-4-10-9-6-7-2-1-3-8(7)9/h1,3,7-11H,2,4-6H2
InChIKeyFYEISAODVQWYMO-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.53
Rot. Bonds3

About 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol

2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol (PubChem CID 43222667) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol.

Molecular Properties

Compound Name2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol
PubChem CID43222667
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol
SMILESOCCNC1CC2CC=CC21
InChIInChI=1S/C9H15NO/c11-5-4-10-9-6-7-2-1-3-8(7)9/h1,3,7-11H,2,4-6H2
InChIKeyFYEISAODVQWYMO-UHFFFAOYSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.53
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 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol?
The IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol (CID 43222667) is 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol.
What is the SMILES notation for 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol?
The canonical SMILES for 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol is OCCNC1CC2CC=CC21.
What is the InChIKey of 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol?
The InChIKey is FYEISAODVQWYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-5-4-10-9-6-7-2-1-3-8(7)9/h1,3,7-11H,2,4-6H2.
What are the key properties of 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol?
2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol has a molecular weight of 153.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bicyclo[3.2.0]hept-3-enylamino)ethanol is sourced from PubChem (CID 43222667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).