5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol

C9H15I2NO — CID 140551820

IUPAC5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol
SMILESOC1C(I)CC(I)C2CCCNC12
InChIInChI=1S/C9H15I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h5-9,12-13H,1-4H2
InChIKeyKPPWBNVPJCPANW-UHFFFAOYSA-N
MW407.03 g/mol
LogP1.73
Rot. Bonds

About 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol

5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol (PubChem CID 140551820) has the molecular formula C9H15I2NO and a molecular weight of 407.03 g/mol. Its IUPAC name is 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol.

Molecular Properties

Compound Name5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol
PubChem CID140551820
Molecular FormulaC9H15I2NO
Molecular Weight407.03 g/mol
Exact Mass406.92
IUPAC Name5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol
SMILESOC1C(I)CC(I)C2CCCNC12
InChIInChI=1S/C9H15I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h5-9,12-13H,1-4H2
InChIKeyKPPWBNVPJCPANW-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.03
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

7-methyl-2-azabicyclo[4.1.0]heptane
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(4aS,5R,6R,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-5,6,7-triol
CID 11008650
5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane
CID 157051839
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2-cyclobutylpiperidin-3-ol
CID 115012112
(4aR,7R,8R,8aS)-8-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-7-carboxylic acid
CID 124709454
8-oxa-6,10-diazatricyclo[7.4.0.02,7]tridecane
CID 130353148
trans-(1R,2R)-2-[(2R)-pyrrolidin-2-yl]cyclohexan-1-ol
CID 124709746
azepane-2,3,4-triol
CID 18417369
2-pyrrolidin-2-ylcyclooctan-1-ol
CID 79560078
2-cycloheptylpiperidin-3-ol;hydrochloride
CID 115039926
2-cyclohexa-2,4-dien-1-yl-4-iodopiperidin-3-ol
CID 122627027

Frequently Asked Questions

What is the IUPAC name of 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol?
The IUPAC name of 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol (CID 140551820) is 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol.
What is the SMILES notation for 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol?
The canonical SMILES for 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol is OC1C(I)CC(I)C2CCCNC12.
What is the InChIKey of 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol?
The InChIKey is KPPWBNVPJCPANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h5-9,12-13H,1-4H2.
What are the key properties of 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol?
5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol has a molecular weight of 407.03 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol is sourced from PubChem (CID 140551820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).