(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one

C10H11BrN2O — CID 130649300

IUPAC(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one
SMILESCc1c(Br)ccc2c1NC(=O)[C@]2(C)N
InChIInChI=1S/C10H11BrN2O/c1-5-7(11)4-3-6-8(5)13-9(14)10(6,2)12/h3-4H,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyQJTSOOZNVMRILL-SNVBAGLBSA-N
MW255.11 g/mol
LogP1.88
Rot. Bonds

About (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one

(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one (PubChem CID 130649300) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one
PubChem CID130649300
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one
SMILESCc1c(Br)ccc2c1NC(=O)[C@]2(C)N
InChIInChI=1S/C10H11BrN2O/c1-5-7(11)4-3-6-8(5)13-9(14)10(6,2)12/h3-4H,12H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyQJTSOOZNVMRILL-SNVBAGLBSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one?
The IUPAC name of (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one (CID 130649300) is (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one is Cc1c(Br)ccc2c1NC(=O)[C@]2(C)N.
What is the InChIKey of (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one?
The InChIKey is QJTSOOZNVMRILL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-5-7(11)4-3-6-8(5)13-9(14)10(6,2)12/h3-4H,12H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one?
(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one has a molecular weight of 255.11 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one is sourced from PubChem (CID 130649300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).