(5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol

C11H11Cl2NO — CID 143618079

IUPAC(5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol
SMILESOC1NC[C@]2(c3ccc(Cl)c(Cl)c3)CC12
InChIInChI=1S/C11H11Cl2NO/c12-8-2-1-6(3-9(8)13)11-4-7(11)10(15)14-5-11/h1-3,7,10,14-15H,4-5H2/t7?,10?,11-/m0/s1
InChIKeyCFHOMYMQNMGREW-KKOQCAIRSA-N
MW244.12 g/mol
LogP2.17
Rot. Bonds1

About (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol

(5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol (PubChem CID 143618079) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol
PubChem CID143618079
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name(5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol
SMILESOC1NC[C@]2(c3ccc(Cl)c(Cl)c3)CC12
InChIInChI=1S/C11H11Cl2NO/c12-8-2-1-6(3-9(8)13)11-4-7(11)10(15)14-5-11/h1-3,7,10,14-15H,4-5H2/t7?,10?,11-/m0/s1
InChIKeyCFHOMYMQNMGREW-KKOQCAIRSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane
CID 24849583
6-(3,4-dichlorophenyl)-2-methyl-3-azabicyclo[4.1.0]heptan-4-one
CID 70947534
5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride
CID 66781316
1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hexane
CID 159699770
3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 75181358
[(1S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 143697511
1-(3,4-dichlorophenyl)-2-thia-5-azabicyclo[2.2.1]heptan-3-one
CID 169149806
(3aS,5S,6aS)-3a-(3,4-dichlorophenyl)-5-methoxy-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 56953452
2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 174934692
[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol
CID 59779155
1-(3,4-dichlorophenyl)-3-methoxycyclobutan-1-ol
CID 106823902
(3aR,6aS)-3a-(3,4-dichlorophenyl)-5,5-difluoro-1,2,3,4,6,6a-hexahydrocyclopenta[c]pyrrole;(E)-but-2-enedioic acid
CID 56952380

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol (CID 143618079) is (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol is OC1NC[C@]2(c3ccc(Cl)c(Cl)c3)CC12.
What is the InChIKey of (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol?
The InChIKey is CFHOMYMQNMGREW-KKOQCAIRSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c12-8-2-1-6(3-9(8)13)11-4-7(11)10(15)14-5-11/h1-3,7,10,14-15H,4-5H2/t7?,10?,11-/m0/s1.
What are the key properties of (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol?
(5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol has a molecular weight of 244.12 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 143618079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).