3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol

C12H19NO2 — CID 106099972

IUPAC3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2CC3CC=CC32)CCOC1
InChIInChI=1S/C12H19NO2/c14-12(4-5-15-8-12)7-13-11-6-9-2-1-3-10(9)11/h1,3,9-11,13-14H,2,4-8H2
InChIKeyDQHDRVVCTOALSA-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.69
Rot. Bonds3

About 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol

3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol (PubChem CID 106099972) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol
PubChem CID106099972
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2CC3CC=CC32)CCOC1
InChIInChI=1S/C12H19NO2/c14-12(4-5-15-8-12)7-13-11-6-9-2-1-3-10(9)11/h1,3,9-11,13-14H,2,4-8H2
InChIKeyDQHDRVVCTOALSA-UHFFFAOYSA-N
XLogP0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.69
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 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol (CID 106099972) is 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol is OC1(CNC2CC3CC=CC32)CCOC1.
What is the InChIKey of 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol?
The InChIKey is DQHDRVVCTOALSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(4-5-15-8-12)7-13-11-6-9-2-1-3-10(9)11/h1,3,9-11,13-14H,2,4-8H2.
What are the key properties of 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol?
3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol has a molecular weight of 209.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106099972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).