trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol

C6H13INO- — CID 153420428

IUPACtrans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol
SMILESN[I-]C[C@H]1CC[C@H](O)C1
InChIInChI=1S/C6H13INO/c8-7-4-5-1-2-6(9)3-5/h5-6,9H,1-4,8H2/q-1/t5-,6-/m0/s1
InChIKeyRZFRTHYLERLQLE-WDSKDSINSA-N
MW242.08 g/mol
LogP-2.89
Rot. Bonds2

About trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol

trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol (PubChem CID 153420428) has the molecular formula C6H13INO- and a molecular weight of 242.08 g/mol. Its IUPAC name is trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol
PubChem CID153420428
Molecular FormulaC6H13INO-
Molecular Weight242.08 g/mol
Exact Mass242.00
IUPAC Nametrans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol
SMILESN[I-]C[C@H]1CC[C@H](O)C1
InChIInChI=1S/C6H13INO/c8-7-4-5-1-2-6(9)3-5/h5-6,9H,1-4,8H2/q-1/t5-,6-/m0/s1
InChIKeyRZFRTHYLERLQLE-WDSKDSINSA-N
XLogP-2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 5-2.89
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol (CID 153420428) is trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol is N[I-]C[C@H]1CC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol?
The InChIKey is RZFRTHYLERLQLE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13INO/c8-7-4-5-1-2-6(9)3-5/h5-6,9H,1-4,8H2/q-1/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol?
trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol has a molecular weight of 242.08 g/mol, XLogP of -2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(aminoiodanuidylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 153420428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).