[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol

C13H15Cl2NO — CID 24802843

IUPAC[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol
SMILESOC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C13H15Cl2NO/c14-10-2-1-9(5-11(10)15)13-3-4-16-7-12(13,6-13)8-17/h1-2,5,16-17H,3-4,6-8H2/t12-,13-/m1/s1
InChIKeyRVRYTWVPEPGNKI-CHWSQXEVSA-N
MW272.17 g/mol
LogP2.61
Rot. Bonds2

About [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol

[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol (PubChem CID 24802843) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol.

Molecular Properties

Compound Name[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol
PubChem CID24802843
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol
SMILESOC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C13H15Cl2NO/c14-10-2-1-9(5-11(10)15)13-3-4-16-7-12(13,6-13)8-17/h1-2,5,16-17H,3-4,6-8H2/t12-,13-/m1/s1
InChIKeyRVRYTWVPEPGNKI-CHWSQXEVSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol?
The IUPAC name of [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol (CID 24802843) is [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol.
What is the SMILES notation for [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol?
The canonical SMILES for [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol is OC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol?
The InChIKey is RVRYTWVPEPGNKI-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-10-2-1-9(5-11(10)15)13-3-4-16-7-12(13,6-13)8-17/h1-2,5,16-17H,3-4,6-8H2/t12-,13-/m1/s1.
What are the key properties of [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol?
[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol has a molecular weight of 272.17 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methanol is sourced from PubChem (CID 24802843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).