(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol

C9H10INO — CID 130648423

IUPAC(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol
SMILESN[C@H]1CCc2c(I)cc(O)cc21
InChIInChI=1S/C9H10INO/c10-8-4-5(12)3-7-6(8)1-2-9(7)11/h3-4,9,12H,1-2,11H2/t9-/m0/s1
InChIKeyXBEKMQYRTRJUKG-VIFPVBQESA-N
MW275.09 g/mol
LogP1.94
Rot. Bonds

About (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol

(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol (PubChem CID 130648423) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol
PubChem CID130648423
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol
SMILESN[C@H]1CCc2c(I)cc(O)cc21
InChIInChI=1S/C9H10INO/c10-8-4-5(12)3-7-6(8)1-2-9(7)11/h3-4,9,12H,1-2,11H2/t9-/m0/s1
InChIKeyXBEKMQYRTRJUKG-VIFPVBQESA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol (CID 130648423) is (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol is N[C@H]1CCc2c(I)cc(O)cc21.
What is the InChIKey of (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol?
The InChIKey is XBEKMQYRTRJUKG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10INO/c10-8-4-5(12)3-7-6(8)1-2-9(7)11/h3-4,9,12H,1-2,11H2/t9-/m0/s1.
What are the key properties of (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol?
(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol has a molecular weight of 275.09 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 130648423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).