8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C10H15Cl2NO — CID 79172895

IUPAC8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC(Cl)=CCl
InChIInChI=1S/C10H15Cl2NO/c11-5-7(12)6-13-8-1-2-9(13)4-10(14)3-8/h5,8-10,14H,1-4,6H2
InChIKeyAYYWOPMDGNDYIG-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.29
Rot. Bonds2

About 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 79172895) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID79172895
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC(Cl)=CCl
InChIInChI=1S/C10H15Cl2NO/c11-5-7(12)6-13-8-1-2-9(13)4-10(14)3-8/h5,8-10,14H,1-4,6H2
InChIKeyAYYWOPMDGNDYIG-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 79172895) is 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CC(Cl)=CCl.
What is the InChIKey of 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AYYWOPMDGNDYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2NO/c11-5-7(12)6-13-8-1-2-9(13)4-10(14)3-8/h5,8-10,14H,1-4,6H2.
What are the key properties of 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 236.14 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 79172895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).