3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide

C12H20N2O2 — CID 106171189

IUPAC3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)C1CC2C=CC1C2
InChIInChI=1S/C12H20N2O2/c1-7(14-6-11(15)12(13)16)10-5-8-2-3-9(10)4-8/h2-3,7-11,14-15H,4-6H2,1H3,(H2,13,16)
InChIKeyCFMMOBGLNHVYHU-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.02
Rot. Bonds5

About 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide

3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide (PubChem CID 106171189) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide
PubChem CID106171189
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)C1CC2C=CC1C2
InChIInChI=1S/C12H20N2O2/c1-7(14-6-11(15)12(13)16)10-5-8-2-3-9(10)4-8/h2-3,7-11,14-15H,4-6H2,1H3,(H2,13,16)
InChIKeyCFMMOBGLNHVYHU-UHFFFAOYSA-N
XLogP0.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide (CID 106171189) is 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide is CC(NCC(O)C(N)=O)C1CC2C=CC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide?
The InChIKey is CFMMOBGLNHVYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(14-6-11(15)12(13)16)10-5-8-2-3-9(10)4-8/h2-3,7-11,14-15H,4-6H2,1H3,(H2,13,16).
What are the key properties of 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide?
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide has a molecular weight of 224.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106171189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).