(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol

C9H10BrNO — CID 130624664

IUPAC(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol
SMILESN[C@H]1CCc2cc(Br)c(O)cc21
InChIInChI=1S/C9H10BrNO/c10-7-3-5-1-2-8(11)6(5)4-9(7)12/h3-4,8,12H,1-2,11H2/t8-/m0/s1
InChIKeyZJYOGFXMOVMHIX-QMMMGPOBSA-N
MW228.09 g/mol
LogP2.10
Rot. Bonds

About (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol

(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol (PubChem CID 130624664) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol
PubChem CID130624664
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol
SMILESN[C@H]1CCc2cc(Br)c(O)cc21
InChIInChI=1S/C9H10BrNO/c10-7-3-5-1-2-8(11)6(5)4-9(7)12/h3-4,8,12H,1-2,11H2/t8-/m0/s1
InChIKeyZJYOGFXMOVMHIX-QMMMGPOBSA-N
XLogP2.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol (CID 130624664) is (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol is N[C@H]1CCc2cc(Br)c(O)cc21.
What is the InChIKey of (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol?
The InChIKey is ZJYOGFXMOVMHIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-7-3-5-1-2-8(11)6(5)4-9(7)12/h3-4,8,12H,1-2,11H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol?
(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol has a molecular weight of 228.09 g/mol, XLogP of 2.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 130624664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).