(1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol

C10H14ClNO — CID 163499388

IUPAC(1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol
SMILESO[C@@H]1CCC2=CCCC=C2[C@H]1NCl
InChIInChI=1S/C10H14ClNO/c11-12-10-8-4-2-1-3-7(8)5-6-9(10)13/h3-4,9-10,12-13H,1-2,5-6H2/t9-,10-/m1/s1
InChIKeyCTKKBYQKZTYOGU-NXEZZACHSA-N
MW199.68 g/mol
LogP1.90
Rot. Bonds1

About (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol

(1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol (PubChem CID 163499388) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol
PubChem CID163499388
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name(1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol
SMILESO[C@@H]1CCC2=CCCC=C2[C@H]1NCl
InChIInChI=1S/C10H14ClNO/c11-12-10-8-4-2-1-3-7(8)5-6-9(10)13/h3-4,9-10,12-13H,1-2,5-6H2/t9-,10-/m1/s1
InChIKeyCTKKBYQKZTYOGU-NXEZZACHSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol?
The IUPAC name of (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol (CID 163499388) is (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol.
What is the SMILES notation for (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol?
The canonical SMILES for (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol is O[C@@H]1CCC2=CCCC=C2[C@H]1NCl.
What is the InChIKey of (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol?
The InChIKey is CTKKBYQKZTYOGU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-12-10-8-4-2-1-3-7(8)5-6-9(10)13/h3-4,9-10,12-13H,1-2,5-6H2/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol?
(1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol has a molecular weight of 199.68 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(chloroamino)-1,2,3,4,6,7-hexahydronaphthalen-2-ol is sourced from PubChem (CID 163499388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).