8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H18ClNO — CID 106439861

IUPAC8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(=CCl)CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H18ClNO/c1-8(6-12)7-13-9-2-3-10(13)5-11(14)4-9/h6,9-11,14H,2-5,7H2,1H3
InChIKeyBHZNZUWISRQRIO-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.12
Rot. Bonds2

About 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 106439861) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID106439861
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(=CCl)CN1C2CCC1CC(O)C2
InChIInChI=1S/C11H18ClNO/c1-8(6-12)7-13-9-2-3-10(13)5-11(14)4-9/h6,9-11,14H,2-5,7H2,1H3
InChIKeyBHZNZUWISRQRIO-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Allyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 16193543
3-Hydroxy-8-methyl-8-(prop-2-en-1-yl)-8-azoniabicyclo[3.2.1]octane
CID 5003946
8-[(E)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769771
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-(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-(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-But-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 76974863

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 106439861) is 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(=CCl)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BHZNZUWISRQRIO-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/h6,9-11,14H,2-5,7H2,1H3.
What are the key properties of 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 215.72 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 106439861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).