3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol

C11H19NO2 — CID 66176724

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C11H19NO2/c13-7-11(14)6-12-5-10-4-8-1-2-9(10)3-8/h1-2,8-14H,3-7H2
InChIKeyJHLAHARADXFKHJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.14
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol

3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol (PubChem CID 66176724) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol
PubChem CID66176724
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C11H19NO2/c13-7-11(14)6-12-5-10-4-8-1-2-9(10)3-8/h1-2,8-14H,3-7H2
InChIKeyJHLAHARADXFKHJ-UHFFFAOYSA-N
XLogP0.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.14
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-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol (CID 66176724) is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol is OCC(O)CNCC1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol?
The InChIKey is JHLAHARADXFKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-7-11(14)6-12-5-10-4-8-1-2-9(10)3-8/h1-2,8-14H,3-7H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol?
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol has a molecular weight of 197.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propane-1,2-diol is sourced from PubChem (CID 66176724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).