2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol

C11H19NO2 — CID 106187413

IUPAC2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1CC2CC=CC21
InChIInChI=1S/C11H19NO2/c1-14-7-9(6-13)12-11-5-8-3-2-4-10(8)11/h2,4,8-13H,3,5-7H2,1H3
InChIKeyIIXSMGITNZJZMB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.55
Rot. Bonds5

About 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol

2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol (PubChem CID 106187413) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol
PubChem CID106187413
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1CC2CC=CC21
InChIInChI=1S/C11H19NO2/c1-14-7-9(6-13)12-11-5-8-3-2-4-10(8)11/h2,4,8-13H,3,5-7H2,1H3
InChIKeyIIXSMGITNZJZMB-UHFFFAOYSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol?
The IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol (CID 106187413) is 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol is COCC(CO)NC1CC2CC=CC21.
What is the InChIKey of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol?
The InChIKey is IIXSMGITNZJZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-7-9(6-13)12-11-5-8-3-2-4-10(8)11/h2,4,8-13H,3,5-7H2,1H3.
What are the key properties of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol?
2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-3-methoxypropan-1-ol is sourced from PubChem (CID 106187413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).