(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C10H16ClNO — CID 10352802

IUPAC(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1[C@H]2CC[C@@H]1[C@@H](/C=C/Cl)[C@@H](O)C2
InChIInChI=1S/C10H16ClNO/c1-12-7-2-3-9(12)8(4-5-11)10(13)6-7/h4-5,7-10,13H,2-3,6H2,1H3/b5-4+/t7-,8+,9+,10-/m0/s1
InChIKeyMPGYUDFLRUSECQ-PBTGNXOPSA-N
MW201.70 g/mol
LogP1.58
Rot. Bonds1

About (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 10352802) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID10352802
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1[C@H]2CC[C@@H]1[C@@H](/C=C/Cl)[C@@H](O)C2
InChIInChI=1S/C10H16ClNO/c1-12-7-2-3-9(12)8(4-5-11)10(13)6-7/h4-5,7-10,13H,2-3,6H2,1H3/b5-4+/t7-,8+,9+,10-/m0/s1
InChIKeyMPGYUDFLRUSECQ-PBTGNXOPSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3beta-(t-Butyldimethylsilyloxy)-2beta-[(E)-2-chlorovinyl]tropane
CID 10335881
tert-butyl-[[(2R,3S)-2-(2-chloroethenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
CID 57077507
tert-butyl-[[(2R,3S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-dimethylsilane
CID 88436327
(1S,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 1503687
8-Methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 4916803
(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6987598
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10442070
8-(3-Methylhex-5-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104168046
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol
CID 107008693
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylidenepentan-1-ol
CID 112680784
3-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol
CID 112680826

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 10352802) is (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1[C@H]2CC[C@@H]1[C@@H](/C=C/Cl)[C@@H](O)C2.
What is the InChIKey of (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MPGYUDFLRUSECQ-PBTGNXOPSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-12-7-2-3-9(12)8(4-5-11)10(13)6-7/h4-5,7-10,13H,2-3,6H2,1H3/b5-4+/t7-,8+,9+,10-/m0/s1.
What are the key properties of (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 201.70 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 10352802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).