trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol

C11H14INO — CID 102733058

IUPACtrans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1cccc(I)c1
InChIInChI=1S/C11H14INO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10-,11-/m1/s1
InChIKeyFDNIRBQZIHEDLZ-GHMZBOCLSA-N
MW303.14 g/mol
LogP2.62
Rot. Bonds2

About trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol

trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol (PubChem CID 102733058) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
PubChem CID102733058
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Nametrans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1Nc1cccc(I)c1
InChIInChI=1S/C11H14INO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10-,11-/m1/s1
InChIKeyFDNIRBQZIHEDLZ-GHMZBOCLSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
trans-(1S,2S)-2-(3-methoxyanilino)cyclopentan-1-ol
CID 93345904
2-(3-methylsulfanylanilino)cyclopentan-1-ol
CID 60886676
N-(2,6-dimethylcyclohexyl)-3-iodoaniline
CID 43124617
trans-(1R,2R)-2-(3-methylsulfanylanilino)cyclohexan-1-ol
CID 102730841
trans-(1S,2S)-2-(3-ethynylanilino)cyclohexan-1-ol
CID 102730833
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol (CID 102733058) is trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1Nc1cccc(I)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol?
The InChIKey is FDNIRBQZIHEDLZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14INO/c12-8-3-1-4-9(7-8)13-10-5-2-6-11(10)14/h1,3-4,7,10-11,13-14H,2,5-6H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol has a molecular weight of 303.14 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol is sourced from PubChem (CID 102733058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).