8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol

C11H18ClNO — CID 103067868

IUPAC8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(CCl)CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H18ClNO/c1-8(6-12)7-13-9-2-3-10(13)5-11(14)4-9/h9-11,14H,1-7H2
InChIKeyAJXGBYLVUFPMGE-UHFFFAOYSA-N
MW215.72 g/mol
LogP1.77
Rot. Bonds3

About 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 103067868) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID103067868
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(CCl)CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H18ClNO/c1-8(6-12)7-13-9-2-3-10(13)5-11(14)4-9/h9-11,14H,1-7H2
InChIKeyAJXGBYLVUFPMGE-UHFFFAOYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-Prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 70504469
8-(2-Methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768172
8-(3-Methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769257
8-(4-Chlorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769580
8-(5-Chloropentyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769761
8-(2-Chloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769767
8-(3-Chloropropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769942
8-(2-Chloroethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770121
8-(6-Chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770297
8-(3-Chloro-2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64231885
8-(2-Methylidenebutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 66039258
8-(3-Chloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 76974881

Frequently Asked Questions

What is the IUPAC name of 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 103067868) is 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol is C=C(CCl)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AJXGBYLVUFPMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-8(6-12)7-13-9-2-3-10(13)5-11(14)4-9/h9-11,14H,1-7H2.
What are the key properties of 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 215.72 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(chloromethyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 103067868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).